N-[2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]ethyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]ethyl]acetamide CAS Name: N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]ethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]ethyl]acetamide Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3)C=CC(=C2)F

Isomeric SMILES

CC1CCC2=C(N1S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3)C=CC(=C2)F

InChI

InChI=1S/C21H25FN2O3S2/c1-16-7-8-18-13-19(22)9-10-20(18)24(16)29(26,27)12-11-23-21(25)15-28-14-17-5-3-2-4-6-17/h2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3,(H,23,25)