4-(4-ethylpiperazin-1-yl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-3-(o-tolylsulfonylamino)benzoic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-ethylpiperazino)-3-(o-tolylsulfonylamino)benzoic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C20H25N3O4S/c1-3-22-10-12-23(13-11-22)18-9-8-16(20(24)25)14-17(18)21-28(26,27)19-7-5-4-6-15(19)2/h4-9,14,21H,3,10-13H2,1-2H3,(H,24,25)