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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(N-mesyl-2-methoxy-5-nitro-anilino)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-])N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

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