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

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[4-(isopropylthio)phenyl]acetamide Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H28N2O3S2/c1-19(2)32-24-12-8-20(9-13-24)16-26(29)27-23-11-10-21-14-15-28(18-22(21)17-23)33(30,31)25-6-4-3-5-7-25/h3-13,17,19H,14-16,18H2,1-2H3,(H,27,29)