N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrobenzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Formula: C23H29N6O6S+ MolecularWeight: 517.57796

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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)NCC[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCC[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O6S/c1-17-22(23(30)28(26(17)2)18-6-4-3-5-7-18)25-36(33,34)19-8-9-20(21(16-19)29(31)32)24-10-11-27-12-14-35-15-13-27/h3-9,16,24-25H,10-15H2,1-2H3/p+1