N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[2-(o-tolylmethylsulfanyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-methylphenyl)methylthio]ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-[(2-methylbenzyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C25H34N2O3S2 MolecularWeight: 474.67906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O3S2/c1-21-9-5-6-13-24(21)20-31-17-15-26-25(28)23-14-7-16-27(19-23)32(29,30)18-8-12-22-10-3-2-4-11-22/h2-6,9-11,13,23H,7-8,12,14-20H2,1H3,(H,26,28)