3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylbenzamide

Systemtic Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylbenzamide Openeye Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]benzamide CAS Name: 3-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]benzamide IUPAC Name: 3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]benzamide Traditional Name: 3-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]benzamide Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6S/c1-30(28,29)15-5-6-16(17(12-15)23(26)27)21-7-9-22(10-8-21)19(25)14-4-2-3-13(11-14)18(20)24/h2-6,11-12H,7-10H2,1H3,(H2,20,24)