N-(2-ethoxyphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-ethoxyphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-ethoxyphenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-ethoxyphenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-N-o-phenetyl-isonipecotamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-20-7-5-4-6-19(20)22-21(24)16-12-14-23(15-13-16)29(25,26)18-10-8-17(28-2)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)