1-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-27(24,25)22-12-5-8-17-14-18(9-10-19(17)22)20(23)21-11-13-26-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,21,23)