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

Systemtic Name: methyl (2S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C15H19ClN2O6S MolecularWeight: 390.83916

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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)N2CCCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C15H19ClN2O6S/c1-24-15(21)12(9-19)17-14(20)10-4-5-11(16)13(8-10)25(22,23)18-6-2-3-7-18/h4-5,8,12,19H,2-3,6-7,9H2,1H3,(H,17,20)/t12-/m0/s1