methyl (2S)-3-methyl-2-[[2-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(1-methylsulfonyl-4-piperidyl)oxy]benzoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[[2-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-(1-methylsulfonylpiperidin-4-yl)oxybenzoyl]amino]butanoate Traditional Name: (2S)-2-[[2-[(1-mesyl-4-piperidyl)oxy]benzoyl]amino]-3-methyl-butyric acid methyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC=CC=C1OC2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC=CC=C1OC2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O6S/c1-13(2)17(19(23)26-3)20-18(22)15-7-5-6-8-16(15)27-14-9-11-21(12-10-14)28(4,24)25/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,22)/t17-/m0/s1