(E)-3-(1,3-benzodioxol-5-yl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acrylamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5S/c1-2-11-30(26,27)24-10-9-17-5-6-19(13-18(17)14-24)23-22(25)8-4-16-3-7-20-21(12-16)29-15-28-20/h3-8,12-13H,2,9-11,14-15H2,1H3,(H,23,25)/b8-4+