N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-propanamide

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-propanamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-propanamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylpropanamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylpropanamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-propionamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C=C1

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C=C1

InChI

InChI=1S/C20H24N2O4S/c1-14(2)20(23)21-17-5-4-15-10-11-22(13-16(15)12-17)27(24,25)19-8-6-18(26-3)7-9-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)