N-[4-[[(2-nitro-4-sulfamoyl-phenyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-[[(2-nitro-4-sulfamoyl-phenyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[(2-nitro-4-sulfamoyl-anilino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[[(2-nitro-4-sulfamoylphenyl)hydrazo]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[(2-nitro-4-sulfamoylanilino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[(2-nitro-4-sulfamoyl-anilino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H19N5O9S2 MolecularWeight: 549.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O9S2/c22-36(30,31)15-5-7-17(18(11-15)26(28)29)23-24-21(27)13-1-3-14(4-2-13)25-37(32,33)16-6-8-19-20(12-16)35-10-9-34-19/h1-8,11-12,23,25H,9-10H2,(H,24,27)(H2,22,30,31)