ethyl 1-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H30N2O5S2/c1-4-31-24(28)19-13-15-25(16-14-19)23(27)17-26(20-7-5-18(2)6-8-20)33(29,30)22-11-9-21(32-3)10-12-22/h5-12,19H,4,13-17H2,1-3H3