[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate

Systemtic Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate Openeye Name: [2-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2,4-dichloro-5-sulfamoyl-benzoate CAS Name: 2,4-dichloro-5-sulfamoylbenzoic acid [2-[5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate Traditional Name: 2,4-dichloro-5-sulfamoyl-benzoic acid [2-keto-2-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C28H21Cl2N3O5S MolecularWeight: 582.45444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C28H21Cl2N3O5S/c29-22-14-23(30)26(39(31,36)37)13-21(22)28(35)38-16-27(34)33-25(18-7-2-1-3-8-18)15-24(32-33)20-11-10-17-6-4-5-9-19(17)12-20/h1-14,25H,15-16H2,(H2,31,36,37)