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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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