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

Systemtic Name: ethyl 1-[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]isonipecotic acid ethyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S2/c1-4-26(33(29,30)22-12-10-21(32-3)11-13-22)20-8-6-18(7-9-20)23(27)25-16-14-19(15-17-25)24(28)31-5-2/h6-13,19H,4-5,14-17H2,1-3H3