(E)-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2-phenyl-ethenesulfonamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)C=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O5S/c1-28-20-14-18-9-12-24(16-19(18)15-21(20)29-2)22(25)8-11-23-30(26,27)13-10-17-6-4-3-5-7-17/h3-7,10,13-15,23H,8-9,11-12,16H2,1-2H3/b13-10+