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

Systemtic Name: [4-(2-methylphenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitro-phenyl)methanone Openeye Name: (4-methylsulfonyl-3-nitro-phenyl)-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [4-(2-methylphenyl)-1-piperazinyl]-(4-methylsulfonyl-3-nitrophenyl)methanone IUPAC Name: [4-(2-methylphenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitrophenyl)methanone Traditional Name: (4-mesyl-3-nitro-phenyl)-[4-(o-tolyl)piperazino]methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14-5-3-4-6-16(14)20-9-11-21(12-10-20)19(23)15-7-8-18(28(2,26)27)17(13-15)22(24)25/h3-8,13H,9-12H2,1-2H3