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

Systemtic Name: 4-(cycloheptylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(cycloheptylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(cycloheptylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(cycloheptylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(cycloheptylamino)-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)NC4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NC4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5S/c1-17-23(24(30)28(27(17)2)19-12-8-5-9-13-19)26-35(33,34)20-14-15-21(22(16-20)29(31)32)25-18-10-6-3-4-7-11-18/h5,8-9,12-16,18,25-26H,3-4,6-7,10-11H2,1-2H3