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

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C22H27ClN2O4S2 MolecularWeight: 483.04378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S2/c1-29-20-7-9-21(10-8-20)31(27,28)25-12-3-5-18(15-25)22(26)24-11-13-30-16-17-4-2-6-19(23)14-17/h2,4,6-10,14,18H,3,5,11-13,15-16H2,1H3,(H,24,26)