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

Systemtic Name: methyl (2R,4R)-4-oxidanyl-1-(4-pentylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R)-4-hydroxy-1-(4-pentylphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-4-hydroxy-1-(4-pentylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-4-hydroxy-1-(4-pentylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4R)-1-(4-amylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@@H]2C(=O)OC)O

InChI

InChI=1S/C17H25NO5S/c1-3-4-5-6-13-7-9-15(10-8-13)24(21,22)18-12-14(19)11-16(18)17(20)23-2/h7-10,14,16,19H,3-6,11-12H2,1-2H3/t14-,16-/m1/s1