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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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