ethyl 1-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(methylthio)-2-(tosylamino)butanoyl]isonipecotic acid ethyl ester Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H30N2O5S2/c1-4-27-20(24)16-9-12-22(13-10-16)19(23)18(11-14-28-3)21-29(25,26)17-7-5-15(2)6-8-17/h5-8,16,18,21H,4,9-14H2,1-3H3