N-(2-ethylsulfanylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-ethylsulfanylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-ethylsulfanylphenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(ethylthio)phenyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-ethylsulfanylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(ethylthio)phenyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H28N2O3S2/c1-3-28-21-10-5-4-9-20(21)23-22(25)19-11-13-24(14-12-19)29(26,27)16-18-8-6-7-17(2)15-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,23,25)