4-(4-methylpiperazin-1-yl)-3-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-(2-thienylsulfonylamino)benzoic acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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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=CS3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19N3O4S2/c1-18-6-8-19(9-7-18)14-5-4-12(16(20)21)11-13(14)17-25(22,23)15-3-2-10-24-15/h2-5,10-11,17H,6-9H2,1H3,(H,20,21)