N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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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)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-29(25,26)13-3-4-14(15(11-13)21(23)24)19-6-7-20-18(22)12-2-5-16-17(10-12)28-9-8-27-16/h2-5,10-11,19H,6-9H2,1H3,(H,20,22)