1-[4-[4-(5-methyl-2-oxidanyl-phenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(5-methyl-2-oxidanyl-phenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(2-hydroxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(2-hydroxy-5-methylphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2-hydroxy-5-methyl-phenyl)sulfonylpiperazino]-3-nitro-phenyl]ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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