3-(2,5-dimethylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3)C

InChI

InChI=1S/C19H22N2O4S2/c1-12-8-9-13(2)21(12)16-10-14(19(22)23)11-17(27(20,24)25)18(16)26-15-6-4-3-5-7-15/h3-7,10-13H,8-9H2,1-2H3,(H,22,23)(H2,20,24,25)