1-[(3-bromophenyl)methylsulfonyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(cyclohexylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-(cyclohexylthio)ethyl]isonipecotamide Formula: C21H31BrN2O3S2 MolecularWeight: 503.51644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H31BrN2O3S2/c22-19-6-4-5-17(15-19)16-29(26,27)24-12-9-18(10-13-24)21(25)23-11-14-28-20-7-2-1-3-8-20/h4-6,15,18,20H,1-3,7-14,16H2,(H,23,25)