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

Systemtic Name: (4-methyl-2-oxidanyl-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (2-hydroxy-4-methyl-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (2-hydroxy-4-methylphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-hydroxy-4-methylphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-hydroxy-4-methyl-phenyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-13-3-5-15(18(23)11-13)19(24)21-9-7-20(8-10-21)16-6-4-14(29(2,27)28)12-17(16)22(25)26/h3-6,11-12,23H,7-10H2,1-2H3