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

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-1-(3,4-dichlorobenzyl)sulfonyl-nipecotamide Formula: C21H30Cl2N2O3S2 MolecularWeight: 493.5105

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H30Cl2N2O3S2/c22-19-9-8-16(13-20(19)23)15-30(27,28)25-11-4-5-17(14-25)21(26)24-10-12-29-18-6-2-1-3-7-18/h8-9,13,17-18H,1-7,10-12,14-15H2,(H,24,26)