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

Systemtic Name: 3-cyclohexyl-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-cyclohexyl-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O6S/c1-29-19-9-8-17(15-18(19)23(25)26)30(27,28)22-13-11-21(12-14-22)20(24)10-7-16-5-3-2-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3