N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(3-phenylpropylsulfonyl)-N-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C25H34N2O3S2 MolecularWeight: 474.67906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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