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

Systemtic Name: methyl (2S,3S)-3-methyl-2-[[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]carbonylamino]pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[[3-[(1-methylsulfonyl-4-piperidyl)oxy]benzoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[[3-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[[3-(1-methylsulfonylpiperidin-4-yl)oxybenzoyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[3-[(1-mesyl-4-piperidyl)oxy]benzoyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C20H30N2O6S/c1-5-14(2)18(20(24)27-3)21-19(23)15-7-6-8-17(13-15)28-16-9-11-22(12-10-16)29(4,25)26/h6-8,13-14,16,18H,5,9-12H2,1-4H3,(H,21,23)/t14-,18-/m0/s1