N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C20H26N2O5S2/c1-26-17-4-6-19(7-5-17)29(24,25)22-11-8-16(9-12-22)20(23)21-10-14-28-15-18-3-2-13-27-18/h2-7,13,16H,8-12,14-15H2,1H3,(H,21,23)