N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-2-methoxy-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-2-methoxy-5-piperidinosulfonyl-benzamide Formula: C22H27ClN2O4S2 MolecularWeight: 483.04378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S2/c1-29-21-9-8-19(31(27,28)25-11-3-2-4-12-25)15-20(21)22(26)24-10-13-30-16-17-6-5-7-18(23)14-17/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,24,26)