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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C22H25N3O7S MolecularWeight: 475.5148

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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)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S/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/h4-9,14-15H,10-13H2,1-3H3/b9-6+