N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-furylmethyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-furanylmethyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-furfuryl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H22N2O4S2/c1-25-16-4-6-17(7-5-16)26(22,23)20-10-8-14(9-11-20)18(21)19-13-15-3-2-12-24-15/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)