(2-methyl-5-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-methylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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