2-chloranyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[(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=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

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