N-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[2-(4-mesyl-2-nitro-anilino)ethylamino]ethyl]-piperonylamide Formula: C19H20N4O8S MolecularWeight: 464.4491

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O8S/c1-32(28,29)13-3-4-14(15(9-13)23(26)27)20-6-7-21-18(24)10-22-19(25)12-2-5-16-17(8-12)31-11-30-16/h2-5,8-9,20H,6-7,10-11H2,1H3,(H,21,24)(H,22,25)