(E)-3-(2,3-dimethoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-naphthylsulfonyl)piperazino]prop-2-en-1-one Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N2O5S/c1-31-23-9-5-8-20(25(23)32-2)11-13-24(28)26-14-16-27(17-15-26)33(29,30)22-12-10-19-6-3-4-7-21(19)18-22/h3-13,18H,14-17H2,1-2H3/b13-11+