2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(4-methylpiperazino)sulfonylphenyl]carbamoyl]benzoic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H21N3O5S/c1-21-10-12-22(13-11-21)28(26,27)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19(24)25/h2-9H,10-13H2,1H3,(H,20,23)(H,24,25)