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

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-benzylsulfanylpropyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-benzylsulfanylpropyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[3-(benzylthio)propyl]acetamide Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O5S2/c1-29(24,25)22(17-8-9-18-19(12-17)27-15-26-18)13-20(23)21-10-5-11-28-14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-15H2,1H3,(H,21,23)