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

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O8S/c1-26-14-5-4-12(20(22)23)7-13(14)18-17(21)9-19(29(2,24)25)11-3-6-15-16(8-11)28-10-27-15/h3-8H,9-10H2,1-2H3,(H,18,21)