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

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(phenylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(3,4-dichlorobenzyl)sulfonyl-nipecotamide Formula: C22H26Cl2N2O3S2 MolecularWeight: 501.48944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H26Cl2N2O3S2/c23-20-9-8-18(13-21(20)24)16-31(28,29)26-11-4-7-19(14-26)22(27)25-10-12-30-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,19H,4,7,10-12,14-16H2,(H,25,27)