4-(4-chlorophenyl)sulfanyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-chlorophenyl)sulfanyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-chlorophenyl)thio]-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-[(4-chlorophenyl)thio]-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C17H17ClN2O4S2 MolecularWeight: 412.91088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O4S2/c18-12-3-5-13(6-4-12)25-16-14(20-7-1-2-8-20)9-11(17(21)22)10-15(16)26(19,23)24/h3-6,9-10H,1-2,7-8H2,(H,21,22)(H2,19,23,24)