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

Systemtic Name: methyl (2S,3R)-1-(3-chloranyl-2-methyl-phenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,3R)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-8-9(14)4-3-5-11(8)21(18,19)15-7-6-10(16)12(15)13(17)20-2/h3-5,10,12,16H,6-7H2,1-2H3/t10-,12+/m1/s1