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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3-[(4-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-3-(p-tolylsulfonylamino)benzoic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3-[(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-ethylpiperazino)-3-(tosylamino)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=C(C=C3)C

Isomeric SMILES

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

InChI

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