3-cyclohexyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclohexyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-cyclohexyl-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C20H29N3O5S MolecularWeight: 423.52636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-16-7-9-18(23(25)26)15-19(16)29(27,28)22-13-11-21(12-14-22)20(24)10-8-17-5-3-2-4-6-17/h7,9,15,17H,2-6,8,10-14H2,1H3