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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-4-(pyridin-3-ylmethylamino)benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-4-(3-pyridylmethylamino)benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitro-4-(3-pyridinylmethylamino)benzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitro-4-(pyridin-3-ylmethylamino)benzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-4-(3-pyridylmethylamino)benzenesulfonamide Formula: C23H22N6O5S MolecularWeight: 494.52298

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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)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O5S/c1-16-22(23(30)28(27(16)2)18-8-4-3-5-9-18)26-35(33,34)19-10-11-20(21(13-19)29(31)32)25-15-17-7-6-12-24-14-17/h3-14,25-26H,15H2,1-2H3