1-[1-(4-chlorophenyl)sulfonylcyclopentyl]carbonyl-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one

Systemtic Name: 1-[1-(4-chlorophenyl)sulfonylcyclopentyl]carbonyl-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one Openeye Name: 1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one CAS Name: 1-[[1-(4-chlorophenyl)sulfonylcyclopentyl]-oxomethyl]-5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolone IUPAC Name: 1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one Traditional Name: 1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C28H24ClN3O6S2 MolecularWeight: 598.08966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)SC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C28H24ClN3O6S2/c1-19-25(39-24-12-6-5-11-23(24)32(35)36)26(33)31(21-9-3-2-4-10-21)30(19)27(34)28(17-7-8-18-28)40(37,38)22-15-13-20(29)14-16-22/h2-6,9-16H,7-8,17-18H2,1H3