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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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