4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzenesulfonamide Formula: C16H16ClN3O6S MolecularWeight: 413.83274

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C16H16ClN3O6S/c17-12-6-10(7-15-16(12)26-5-1-4-25-15)9-19-13-3-2-11(27(18,23)24)8-14(13)20(21)22/h2-3,6-8,19H,1,4-5,9H2,(H2,18,23,24)