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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O7S/c1-16-4-7-18(25(27)28)15-21(16)33(29,30)24-12-10-23(11-13-24)22(26)9-6-17-5-8-19(31-2)20(14-17)32-3/h4-5,7-8,14-15H,6,9-13H2,1-3H3