(phenylmethyl) N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamate

Systemtic Name: (phenylmethyl) N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamate Openeye Name: benzyl N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamate CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamate Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamic acid benzyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S/c1-2-12-27(24,25)22-11-10-17-8-9-19(13-18(17)14-22)21-20(23)26-15-16-6-4-3-5-7-16/h3-9,13H,2,10-12,14-15H2,1H3,(H,21,23)