N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(N-mesyl-3,4-dimethoxy-anilino)acetamide Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC

InChI

InChI=1S/C18H20N2O7S/c1-24-14-7-5-13(9-16(14)25-2)20(28(3,22)23)10-18(21)19-12-4-6-15-17(8-12)27-11-26-15/h4-9H,10-11H2,1-3H3,(H,19,21)