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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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