N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide CAS Name: N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(1-mesyl-3,4-dihydro-2H-quinolin-7-yl)acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCCN3S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(CCCN3S(=O)(=O)C)C=C2

InChI

InChI=1S/C21H26N2O3S2/c1-15(2)27-19-10-6-16(7-11-19)13-21(24)22-18-9-8-17-5-4-12-23(20(17)14-18)28(3,25)26/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,22,24)