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

Systemtic Name: N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide CAS Name: N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide Traditional Name: 2-(benzylthio)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C2C=CC(=C3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=C2C=CC(=C3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S2/c1-31-22-10-12-23(13-11-22)33(29,30)27-15-5-8-20-16-21(9-14-24(20)27)26-25(28)18-32-17-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15,17-18H2,1H3,(H,26,28)