Name: Name:3-Pyrrolidinol, 1-[(4-methylphenyl)sulfonyl]-, 3-(4-methylbenzenesulfonate)
Brand: Angene
SKU: AG000ZWV
Rating: 90 (10 reviews)

3-Pyrrolidinol, 1-[(4-methylphenyl)sulfonyl]-, 3-(4-methylbenzenesulfonate)

CAS No.:

131912-34-0

Catalog Number:

AG000ZWV

Molecular Formula:

C18H21NO5S2

Molecular Weight:

395.4930

Catalog Number:

AG000ZWV

Chemical Name:

3-Pyrrolidinol, 1-[(4-methylphenyl)sulfonyl]-, 3-(4-methylbenzenesulfonate)

CAS Number:

131912-34-0

Molecular Formula:

C18H21NO5S2

Molecular Weight:

395.4930

MDL Number:

MFCD16659977

IUPAC Name:

[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate

InChI:

InChI=1S/C18H21NO5S2/c1-14-3-7-17(8-4-14)25(20,21)19-12-11-16(13-19)24-26(22,23)18-9-5-15(2)6-10-18/h3-10,16H,11-13H2,1-2H3

InChI Key:

YLPLVVAXXZWTIR-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)OC1CCN(C1)S(=O)(=O)c1ccc(cc1)C

Complexity:

663

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

395.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

395.488g/mol

Monoisotopic Mass:

395.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: