phenyl N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate

Systemtic Name: phenyl N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Openeye Name: phenyl N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamic acid phenyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S/c1-17-7-11-22(12-8-17)30(27,28)25-14-13-18-9-10-20(15-19(18)16-25)24-23(26)29-21-5-3-2-4-6-21/h2-12,15H,13-14,16H2,1H3,(H,24,26)