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

Systemtic Name: 7-chloranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-piperonylamide Formula: C17H16ClN3O7S MolecularWeight: 441.84284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O7S/c1-29(25,26)11-2-3-13(14(8-11)21(23)24)19-4-5-20-17(22)10-6-12(18)16-15(7-10)27-9-28-16/h2-3,6-8,19H,4-5,9H2,1H3,(H,20,22)