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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-piperonyl-acetamide Formula: C18H19N3O8S MolecularWeight: 437.42376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O8S/c1-27-15-6-4-13(21(23)24)8-14(15)20(30(2,25)26)10-18(22)19-9-12-3-5-16-17(7-12)29-11-28-16/h3-8H,9-11H2,1-2H3,(H,19,22)