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

Systemtic Name: (E)-3-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-3-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide CAS Name: (E)-3-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-propenamide IUPAC Name: (E)-3-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Traditional Name: (E)-3-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acrylamide Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-2-14-27(25,26)23-13-12-18-9-10-20(15-19(18)16-23)22-21(24)11-8-17-6-4-3-5-7-17/h3-11,15H,2,12-14,16H2,1H3,(H,22,24)/b11-8+