2-(4-methoxyphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide

Systemtic Name: 2-(4-methoxyphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide Openeye Name: 2-(4-methoxyphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide CAS Name: 2-(4-methoxyphenyl)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide IUPAC Name: 2-(4-methoxyphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide Traditional Name: 2-(4-methoxyphenyl)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-3-21(24)23-12-10-17-6-7-19(14-18(17)15-23)22-28(25,26)13-11-16-4-8-20(27-2)9-5-16/h4-9,14,22H,3,10-13,15H2,1-2H3