Name: Name:4-oxo-4-{4-[4-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}butanoic acid
Brand: Angene
SKU: AG01A0OF
Rating: 90 (10 reviews)

4-oxo-4-{4-[4-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}butanoic acid

CAS No.:

888103-39-7

Catalog Number:

AG01A0OF

Molecular Formula:

C17H24N2O5S

Molecular Weight:

368.4479

Catalog Number:

AG01A0OF

Chemical Name:

4-oxo-4-{4-[4-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}butanoic acid

CAS Number:

888103-39-7

Molecular Formula:

C17H24N2O5S

Molecular Weight:

368.4479

MDL Number:

MFCD06024205

IUPAC Name:

4-oxo-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butanoic acid

InChI:

InChI=1S/C17H24N2O5S/c1-13(2)14-3-5-15(6-4-14)25(23,24)19-11-9-18(10-12-19)16(20)7-8-17(21)22/h3-6,13H,7-12H2,1-2H3,(H,21,22)

InChI Key:

QAMQSYDSTKFZGR-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)O)C

Complexity:

568

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

368.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

368.448g/mol

Monoisotopic Mass:

368.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9