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

Systemtic Name: 3-(2,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2,5-dimethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-16-4-5-17(2)20(14-16)31-13-8-22(26)23-9-11-24(12-10-23)32(29,30)21-15-19(25(27)28)7-6-18(21)3/h4-7,14-15H,8-13H2,1-3H3