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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(4-methylphenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-[(4-methylbenzyl)thio]ethyl]isonipecotamide Formula: C23H29BrN2O3S2 MolecularWeight: 525.52196

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O3S2/c1-18-5-7-19(8-6-18)16-30-14-11-25-23(27)21-9-12-26(13-10-21)31(28,29)17-20-3-2-4-22(24)15-20/h2-8,15,21H,9-14,16-17H2,1H3,(H,25,27)