(E)-3-(2,5-dimethoxyphenyl)-N-[1-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-3-[4-(methylsulfonylamino)phenyl]propan-2-yl]prop-2-enamide

Systemtic Name: (E)-3-(2,5-dimethoxyphenyl)-N-[1-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-3-[4-(methylsulfonylamino)phenyl]propan-2-yl]prop-2-enamide Openeye Name: (E)-3-(2,5-dimethoxyphenyl)-N-[1-[[4-(4-fluorobenzoyl)-1-piperidyl]methyl]-2-[4-(methanesulfonamido)phenyl]ethyl]prop-2-enamide CAS Name: (E)-3-(2,5-dimethoxyphenyl)-N-[1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-3-[4-(methanesulfonamido)phenyl]propan-2-yl]-2-propenamide IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)-N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-[4-(methanesulfonamido)phenyl]propan-2-yl]prop-2-enamide Traditional Name: (E)-3-(2,5-dimethoxyphenyl)-N-[1-[[4-(4-fluorobenzoyl)piperidino]methyl]-2-[4-(methanesulfonamido)phenyl]ethyl]acrylamide Formula: C33H38FN3O6S MolecularWeight: 623.734723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)NC(CC2=CC=C(C=C2)NS(=O)(=O)C)CN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)NC(CC2=CC=C(C=C2)NS(=O)(=O)C)CN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C33H38FN3O6S/c1-42-30-13-14-31(43-2)26(21-30)8-15-32(38)35-29(20-23-4-11-28(12-5-23)36-44(3,40)41)22-37-18-16-25(17-19-37)33(39)24-6-9-27(34)10-7-24/h4-15,21,25,29,36H,16-20,22H2,1-3H3,(H,35,38)/b15-8+