(Z)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide

Systemtic Name: (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide Openeye Name: (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide CAS Name: (Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-2-propenamide IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide Traditional Name: (Z)-3-(3,4-dimethoxyphenyl)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]acrylamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C22H29N5O5S/c1-31-19-7-5-18(17-20(19)32-2)6-8-21(28)23-11-4-16-33(29,30)27-14-12-26(13-15-27)22-24-9-3-10-25-22/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,28)/b8-6-