1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C22H28N2O4S2/c1-4-28-21-9-8-20(14-16(21)2)30(26,27)24-12-10-17(11-13-24)22(25)23-18-6-5-7-19(15-18)29-3/h5-9,14-15,17H,4,10-13H2,1-3H3,(H,23,25)