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

Systemtic Name: 4-(cyclopentylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(cyclopentylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(cyclopentylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(cyclopentylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(cyclopentylamino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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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)NC4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NC4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-15-21(22(28)26(25(15)2)17-10-4-3-5-11-17)24-33(31,32)18-12-13-19(20(14-18)27(29)30)23-16-8-6-7-9-16/h3-5,10-14,16,23-24H,6-9H2,1-2H3