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

Systemtic Name: methyl (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-methylsulfonyloxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-methylsulfonyloxy-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-methylsulfonyloxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-methylsulfonyloxypyrrolidine-2-carboxylate Traditional Name: (2R,4R)-1-(4-butoxyphenyl)sulfonyl-4-methylsulfonyloxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H25NO8S2 MolecularWeight: 435.5123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO8S2/c1-4-5-10-25-13-6-8-15(9-7-13)28(22,23)18-12-14(26-27(3,20)21)11-16(18)17(19)24-2/h6-9,14,16H,4-5,10-12H2,1-3H3/t14-,16-/m1/s1