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

Systemtic Name: 4-(phenylmethyl)-3-piperidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(1-piperidyl)-5-sulfamoyl-benzoic acid CAS Name: 4-(phenylmethyl)-3-(1-piperidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-piperidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-piperidino-5-sulfamoyl-benzoic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c20-26(24,25)18-13-15(19(22)23)12-17(21-9-5-2-6-10-21)16(18)11-14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2,(H,22,23)(H2,20,24,25)