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

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H26N2O3S2/c1-16-5-3-6-17(13-16)15-28(25,26)23-11-9-18(10-12-23)21(24)22-19-7-4-8-20(14-19)27-2/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,22,24)