4-chloranyl-N-[2-[2-(4-methylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-[2-(4-methylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-chloro-N-isopropyl-3-nitro-N-[2-oxo-2-[3-oxo-5-phenyl-2-(p-tolyl)-1H-pyrazol-4-yl]ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[2-[2-(4-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-chloro-N-[2-[2-(4-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-chloro-N-isopropyl-N-[2-keto-2-[5-keto-3-phenyl-1-(p-tolyl)-3-pyrazolin-4-yl]ethyl]-3-nitro-benzenesulfonamide Formula: C27H25ClN4O6S MolecularWeight: 569.0286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)C(=O)CN(C(C)C)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)C(=O)CN(C(C)C)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O6S/c1-17(2)30(39(37,38)21-13-14-22(28)23(15-21)32(35)36)16-24(33)25-26(19-7-5-4-6-8-19)29-31(27(25)34)20-11-9-18(3)10-12-20/h4-15,17,29H,16H2,1-3H3