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

Systemtic Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2-phenyl-ethenesulfonamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCNS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c23-20(22-14-11-18-8-4-5-9-19(18)16-22)10-13-21-26(24,25)15-12-17-6-2-1-3-7-17/h1-9,12,15,21H,10-11,13-14,16H2/b15-12+