1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-1-(2,6-dichlorobenzyl)sulfonyl-isonipecotamide Formula: C21H30Cl2N2O3S2 MolecularWeight: 493.5105

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H30Cl2N2O3S2/c22-19-7-4-8-20(23)18(19)15-30(27,28)25-12-9-16(10-13-25)21(26)24-11-14-29-17-5-2-1-3-6-17/h4,7-8,16-17H,1-3,5-6,9-15H2,(H,24,26)