N-methyl-3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzoylpiperazin-1-yl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-(4-benzoyl-1-piperazinyl)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-benzoylpiperazino)-N-methyl-3-nitro-benzenesulfonamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-19-28(26,27)15-7-8-16(17(13-15)22(24)25)20-9-11-21(12-10-20)18(23)14-5-3-2-4-6-14/h2-8,13,19H,9-12H2,1H3