N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-methoxy-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-methoxy-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-methoxy-5-piperidinosulfonyl-benzamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C20H26N2O5S2/c1-26-19-8-7-17(29(24,25)22-10-3-2-4-11-22)14-18(19)20(23)21-9-13-28-15-16-6-5-12-27-16/h5-8,12,14H,2-4,9-11,13,15H2,1H3,(H,21,23)