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

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-17-7-10-19(11-8-17)30(26,27)24-15-13-23(14-16-24)21(25)12-9-18-5-4-6-20(28-2)22(18)29-3/h4-12H,13-16H2,1-3H3/b12-9+