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

Systemtic Name: methyl 1-[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 1-[4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]isonipecotic acid methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-23(31(27,28)20-10-8-19(30-3)9-11-20)18-6-4-16(5-7-18)21(25)24-14-12-17(13-15-24)22(26)29-2/h4-11,17H,12-15H2,1-3H3