N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-[(4-methylbenzyl)thio]ethyl]isonipecotamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S2/c1-19-7-9-20(10-8-19)17-29-16-13-24-23(26)22-11-14-25(15-12-22)30(27,28)18-21-5-3-2-4-6-21/h2-10,22H,11-18H2,1H3,(H,24,26)