N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(3,4-dichlorophenyl)methylthio]ethyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C24H30Cl2N2O3S2 MolecularWeight: 529.5426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H30Cl2N2O3S2/c25-22-9-8-20(17-23(22)26)18-32-15-12-27-24(29)21-10-13-28(14-11-21)33(30,31)16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-9,17,21H,4,7,10-16,18H2,(H,27,29)