methyl (2S,3R)-1-(3-chloranyl-4-cyano-2-methyl-phenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3R)-1-(3-chloranyl-4-cyano-2-methyl-phenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R)-1-(3-chloro-4-cyano-2-methyl-phenyl)sulfonyl-3-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,3R)-1-(3-chloro-4-cyano-2-methylphenyl)sulfonyl-3-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-1-(3-chloro-4-cyano-2-methylphenyl)sulfonyl-3-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,3R)-1-(3-chloro-4-cyano-2-methyl-phenyl)sulfonyl-3-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C14H15ClN2O5S MolecularWeight: 358.7973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)C#N)S(=O)(=O)N2CCC(C2C(=O)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1Cl)C#N)S(=O)(=O)N2CC[C@H]([C@H]2C(=O)OC)O

InChI

InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1