methyl 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H27N3O6S2 MolecularWeight: 433.54278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H27N3O6S2/c1-11-15(12(2)26-19-11)28(23,24)20-8-5-13(6-9-20)16(21)18-14(7-10-27-4)17(22)25-3/h13-14H,5-10H2,1-4H3,(H,18,21)