methyl (2S)-2-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H21N3O6S/c1-26-17(23)14(11-21)19-16(22)12-6-8-20(9-7-12)27(24,25)15-5-3-2-4-13(15)10-18/h2-5,12,14,21H,6-9,11H2,1H3,(H,19,22)/t14-/m0/s1