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

Systemtic Name: methyl (2R,4R)-4-oxidanyl-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R)-4-hydroxy-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-4-hydroxy-1-(4-propoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-4-hydroxy-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4R)-4-hydroxy-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@@H]2C(=O)OC)O

InChI

InChI=1S/C15H21NO6S/c1-3-8-22-12-4-6-13(7-5-12)23(19,20)16-10-11(17)9-14(16)15(18)21-2/h4-7,11,14,17H,3,8-10H2,1-2H3/t11-,14-/m1/s1