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

Systemtic Name: N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[(2,4-dichlorophenyl)methylthio]ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(2,4-dichlorobenzyl)thio]ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C22H26Cl2N2O4S2 MolecularWeight: 517.48884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26Cl2N2O4S2/c1-30-19-6-8-20(9-7-19)32(28,29)26-11-2-3-16(14-26)22(27)25-10-12-31-15-17-4-5-18(23)13-21(17)24/h4-9,13,16H,2-3,10-12,14-15H2,1H3,(H,25,27)