2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(2-furylmethylsulfanyl)propyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(2-furanylmethylthio)propyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[3-(2-furfurylthio)propyl]acetamide Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CO1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CO1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N2O6S2/c1-28(22,23)20(14-5-6-16-17(10-14)26-13-25-16)11-18(21)19-7-3-9-27-12-15-4-2-8-24-15/h2,4-6,8,10H,3,7,9,11-13H2,1H3,(H,19,21)