(E)-3-(3,4-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acrylamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H28N2O5S/c1-4-13-31(27,28)25-12-11-18-7-8-20(15-19(18)16-25)24-23(26)10-6-17-5-9-21(29-2)22(14-17)30-3/h5-10,14-15H,4,11-13,16H2,1-3H3,(H,24,26)/b10-6+