methyl (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@@H]2C(=O)OC)O

InChI

InChI=1S/C16H23NO6S/c1-3-4-9-23-13-5-7-14(8-6-13)24(20,21)17-11-12(18)10-15(17)16(19)22-2/h5-8,12,15,18H,3-4,9-11H2,1-2H3/t12-,15-/m1/s1