[3-(3,4-dichlorophenyl)pyrrolidin-3-yl] 1-oxidanylidene-1-phenyl-butane-2-sulfonate

Systemtic Name: [3-(3,4-dichlorophenyl)pyrrolidin-3-yl] 1-oxidanylidene-1-phenyl-butane-2-sulfonate Openeye Name: [3-(3,4-dichlorophenyl)pyrrolidin-3-yl] 1-oxo-1-phenyl-butane-2-sulfonate CAS Name: 1-oxo-1-phenyl-2-butanesulfonic acid IUPAC Name: [3-(3,4-dichlorophenyl)pyrrolidin-3-yl] 1-oxo-1-phenylbutane-2-sulfonate Traditional Name: 1-keto-1-phenyl-butane-2-sulfonic acid [3-(3,4-dichlorophenyl)pyrrolidin-3-yl] ester Formula: C20H21Cl2NO4S MolecularWeight: 442.35604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)S(=O)(=O)OC2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)S(=O)(=O)OC2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2NO4S/c1-2-18(19(24)14-6-4-3-5-7-14)28(25,26)27-20(10-11-23-13-20)15-8-9-16(21)17(22)12-15/h3-9,12,18,23H,2,10-11,13H2,1H3