4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C26H25N5O7S MolecularWeight: 551.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCC4COC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCC4COC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O7S/c1-17-25(26(32)30(29(17)2)18-8-4-3-5-9-18)28-39(35,36)20-12-13-21(22(14-20)31(33)34)27-15-19-16-37-23-10-6-7-11-24(23)38-19/h3-14,19,27-28H,15-16H2,1-2H3