methyl 1-[2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C24H30N2O6S2 MolecularWeight: 506.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H30N2O6S2/c1-4-32-20-7-5-19(6-8-20)26(34(29,30)22-11-9-21(33-3)10-12-22)17-23(27)25-15-13-18(14-16-25)24(28)31-2/h5-12,18H,4,13-17H2,1-3H3