methyl (2S,3R)-2-(3-methoxy-3-oxidanylidene-propyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-(3-methoxy-3-oxidanylidene-propyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-3-carboxylate Openeye Name: methyl (2S,3R)-2-(3-methoxy-3-oxo-propyl)-1-(p-tolylsulfonyl)pyrrolidine-3-carboxylate CAS Name: (2S,3R)-2-(3-methoxy-3-oxopropyl)-1-(4-methylphenyl)sulfonyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(3-methoxy-3-oxopropyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate Traditional Name: (2S,3R)-2-(3-keto-3-methoxy-propyl)-1-tosyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@@H]2CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C17H23NO6S/c1-12-4-6-13(7-5-12)25(21,22)18-11-10-14(17(20)24-3)15(18)8-9-16(19)23-2/h4-7,14-15H,8-11H2,1-3H3/t14-,15+/m1/s1