4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfanyl-benzoic acid

Systemtic Name: 4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfanyl-benzoic acid Openeye Name: 4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-4-phenyl-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfanylbenzoic acid Traditional Name: 2-mercapto-4-phenyl-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)S

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)S

InChI

InChI=1S/C17H18N2O4S2/c18-25(22,23)13-10-12(17(20)21)16(24)15(19-8-4-5-9-19)14(13)11-6-2-1-3-7-11/h1-3,6-7,10,24H,4-5,8-9H2,(H,20,21)(H2,18,22,23)