3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 3-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(4-chloro-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O6S2/c18-15-7-6-13(11-16(15)28(25,26)20-8-1-2-9-20)19-27(23,24)14-5-3-4-12(10-14)17(21)22/h3-7,10-11,19H,1-2,8-9H2,(H,21,22)