N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide Formula: C21H22N8O5S MolecularWeight: 498.51498

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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)NCCN4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCCN4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N8O5S/c1-15-20(21(30)28(26(15)2)16-6-4-3-5-7-16)25-35(33,34)17-8-9-18(19(12-17)29(31)32)23-10-11-27-14-22-13-24-27/h3-9,12-14,23,25H,10-11H2,1-2H3