[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H28N2O5S/c1-15-7-9-17(10-8-15)28(25,26)22-12-4-6-18(22)20(24)27-14-19(23)21-11-3-5-16(2)13-21/h7-10,16,18H,3-6,11-14H2,1-2H3