N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)SC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)SC(C)C

InChI

InChI=1S/C27H30N2O3S2/c1-19(2)33-25-10-6-21(7-11-25)16-27(30)28-24-9-8-22-14-15-29(18-23(22)17-24)34(31,32)26-12-4-20(3)5-13-26/h4-13,17,19H,14-16,18H2,1-3H3,(H,28,30)