4-(4-methylpiperazin-1-yl)-3-(phenylsulfonylamino)benzoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-(benzenesulfonamido)-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-(4-methylpiperazino)benzoic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c1-20-9-11-21(12-10-20)17-8-7-14(18(22)23)13-16(17)19-26(24,25)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3,(H,22,23)