methyl (2R,4R)-1-[4-(2-methylpropoxy)phenyl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4R)-1-[4-(2-methylpropoxy)phenyl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R)-4-hydroxy-1-(4-isobutoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-4-hydroxy-1-[4-(2-methylpropoxy)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-4-hydroxy-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4R)-4-hydroxy-1-(4-isobutoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@@H]2C(=O)OC)O

InChI

InChI=1S/C16H23NO6S/c1-11(2)10-23-13-4-6-14(7-5-13)24(20,21)17-9-12(18)8-15(17)16(19)22-3/h4-7,11-12,15,18H,8-10H2,1-3H3/t12-,15-/m1/s1