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

Systemtic Name: 3-[(phenylmethyl)amino]-4-piperidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(1-piperidyl)-5-sulfamoyl-benzoic acid CAS Name: 3-[(phenylmethyl)amino]-4-(1-piperidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-piperidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-piperidino-5-sulfamoyl-benzoic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S/c20-27(25,26)17-12-15(19(23)24)11-16(18(17)22-9-5-2-6-10-22)21-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,23,24)(H2,20,25,26)