methyl 1-[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]isonipecotic acid methyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S2/c1-4-25(32(28,29)21-11-9-20(31-3)10-12-21)19-7-5-17(6-8-19)22(26)24-15-13-18(14-16-24)23(27)30-2/h5-12,18H,4,13-16H2,1-3H3