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

Systemtic Name: 4-(azocan-1-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(azocan-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(1-azocanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(azocan-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(azocan-1-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C24H29N5O5S MolecularWeight: 499.58256

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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)N4CCCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N4CCCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5S/c1-18-23(24(30)28(26(18)2)19-11-7-6-8-12-19)25-35(33,34)20-13-14-21(22(17-20)29(31)32)27-15-9-4-3-5-10-16-27/h6-8,11-14,17,25H,3-5,9-10,15-16H2,1-2H3