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

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-cyclohexylsulfanylpropyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-cyclohexylsulfanylpropyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(cyclohexylthio)propyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-cyclohexylsulfanylpropyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[3-(cyclohexylthio)propyl]acetamide Formula: C19H28N2O5S2 MolecularWeight: 428.56602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H28N2O5S2/c1-28(23,24)21(15-8-9-17-18(12-15)26-14-25-17)13-19(22)20-10-5-11-27-16-6-3-2-4-7-16/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H,20,22)