N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=COCCO2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=COCCO2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O7S/c1-25(21,22)10-2-3-11(12(8-10)17(19)20)15-4-5-16-14(18)13-9-23-6-7-24-13/h2-3,8-9,15H,4-7H2,1H3,(H,16,18)