N-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C19H22N4O7S2 MolecularWeight: 482.53058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O7S2/c1-31(27,28)16-7-8-17(18(13-16)23(25)26)21-9-11-22(12-10-21)19(24)14-3-5-15(6-4-14)20-32(2,29)30/h3-8,13,20H,9-12H2,1-2H3