3-(3-methylpyrrolidin-1-yl)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 3-(3-methyl-1-pyrrolidinyl)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-13-7-8-21(12-13)17-10-15(19(22)23)11-18(26(20,24)25)16(17)9-14-5-3-2-4-6-14/h2-6,10-11,13H,7-9,12H2,1H3,(H,22,23)(H2,20,24,25)