(E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-30-18-8-5-6-16(21(18)31-2)10-11-20(25)22-12-14-23(15-13-22)32(28,29)19-9-4-3-7-17(19)24(26)27/h3-11H,12-15H2,1-2H3/b11-10+