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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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