ethyl N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate

Systemtic Name: ethyl N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Openeye Name: ethyl N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-2-24-18(21)19-16-9-8-14-10-11-20(13-15(14)12-16)25(22,23)17-6-4-3-5-7-17/h3-9,12H,2,10-11,13H2,1H3,(H,19,21)