methyl (2S)-2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H21ClN2O6S/c1-25-16(22)13(10-20)18-15(21)11-5-6-12(17)14(9-11)26(23,24)19-7-3-2-4-8-19/h5-6,9,13,20H,2-4,7-8,10H2,1H3,(H,18,21)/t13-/m0/s1