N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetamide CAS Name: N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetamide Traditional Name: 2-(benzylthio)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetamide Formula: C24H23FN2O3S2 MolecularWeight: 470.579423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN2O3S2/c25-20-9-12-22(13-10-20)32(29,30)27-14-4-7-19-8-11-21(15-23(19)27)26-24(28)17-31-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,15H,4,7,14,16-17H2,(H,26,28)