2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O6S2/c1-32(26,27)24-8-2-3-13-9-14(4-6-16(13)24)17(25)11-31-21-23-22-20(30-21)15-5-7-18-19(10-15)29-12-28-18/h4-7,9-10H,2-3,8,11-12H2,1H3