4-cyclohexyl-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-cyclohexyl-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-cyclohexyl-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-cyclohexyl-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-cyclohexyl-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-cyclohexyl-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]butan-1-one Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O6S/c1-30-20-11-10-18(16-19(20)24(26)27)31(28,29)23-14-12-22(13-15-23)21(25)9-5-8-17-6-3-2-4-7-17/h10-11,16-17H,2-9,12-15H2,1H3