Name: Name:Benzamide, 5-chloro-N-[2-[4-[[[[[(1R,3S)-3-hydroxycyclohexyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-, rel-
Brand: Angene
SKU: AG002M4A
Rating: 90 (10 reviews)

Benzamide, 5-chloro-N-[2-[4-[[[[[(1R,3S)-3-hydroxycyclohexyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-, rel-

CAS No.:

23074-02-4

Catalog Number:

AG002M4A

Molecular Formula:

C23H28ClN3O6S

Molecular Weight:

510.0029

Catalog Number:

AG002M4A

Chemical Name:

Benzamide, 5-chloro-N-[2-[4-[[[[[(1R,3S)-3-hydroxycyclohexyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-, rel-

CAS Number:

23074-02-4

Molecular Formula:

C23H28ClN3O6S

Molecular Weight:

510.0029

MDL Number:

MFCD11978021

IUPAC Name:

5-chloro-N-[2-[4-[(3-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide

InChI:

InChI=1S/C23H28ClN3O6S/c1-33-21-10-7-16(24)13-20(21)22(29)25-12-11-15-5-8-19(9-6-15)34(31,32)27-23(30)26-17-3-2-4-18(28)14-17/h5-10,13,17-18,28H,2-4,11-12,14H2,1H3,(H,25,29)(H2,26,27,30)

InChI Key:

VFBAJFAMXTVSQA-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]1CCC[C@@H](C1)O)Cl

Complexity:

784

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

509.139g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

510.002g/mol

Monoisotopic Mass:

509.139g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

142A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7