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

Systemtic Name: 4-(phenylsulfonyl)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(benzenesulfonyl)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-(benzenesulfonyl)-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(benzenesulfonyl)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-besyl-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S2/c18-27(24,25)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)26(22,23)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,24,25)