methyl (2S)-2-[[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-chloro-4-[(1-mesyl-4-piperidyl)oxy]benzoyl]amino]-3-methyl-butyric acid methyl ester Formula: C19H27ClN2O6S MolecularWeight: 446.94548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O6S/c1-12(2)17(19(24)27-3)21-18(23)13-5-6-16(15(20)11-13)28-14-7-9-22(10-8-14)29(4,25)26/h5-6,11-12,14,17H,7-10H2,1-4H3,(H,21,23)/t17-/m0/s1