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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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