(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-(1-methylsulfonyl-4-piperidyl)prop-2-enamide CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(1-methylsulfonyl-4-piperidinyl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-(1-mesyl-4-piperidyl)acrylamide Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2CCN(CC2)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2CCN(CC2)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C17H23ClN2O5S/c1-24-15-11-12(10-14(18)17(15)25-2)4-5-16(21)19-13-6-8-20(9-7-13)26(3,22)23/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,21)/b5-4+