5-[(2-chloranyl-4-methyl-phenyl)amino]-4-(2-methylsulfonylphenoxy)-2-quinolin-2-yl-4H-pyrazol-3-one

Systemtic Name: 5-[(2-chloranyl-4-methyl-phenyl)amino]-4-(2-methylsulfonylphenoxy)-2-quinolin-2-yl-4H-pyrazol-3-one Openeye Name: 5-(2-chloro-4-methyl-anilino)-4-(2-methylsulfonylphenoxy)-2-(2-quinolyl)-4H-pyrazol-3-one CAS Name: 5-(2-chloro-4-methylanilino)-4-(2-methylsulfonylphenoxy)-2-(2-quinolinyl)-4H-pyrazol-3-one IUPAC Name: 5-(2-chloro-4-methylanilino)-4-(2-methylsulfonylphenoxy)-2-quinolin-2-yl-4H-pyrazol-3-one Traditional Name: 5-(2-chloro-4-methyl-anilino)-4-(2-mesylphenoxy)-2-(2-quinolyl)-2-pyrazolin-3-one Formula: C26H21ClN4O4S MolecularWeight: 520.98734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN(C(=O)C2OC3=CC=CC=C3S(=O)(=O)C)C4=NC5=CC=CC=C5C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN(C(=O)C2OC3=CC=CC=C3S(=O)(=O)C)C4=NC5=CC=CC=C5C=C4)Cl

InChI

InChI=1S/C26H21ClN4O4S/c1-16-11-13-20(18(27)15-16)29-25-24(35-21-9-5-6-10-22(21)36(2,33)34)26(32)31(30-25)23-14-12-17-7-3-4-8-19(17)28-23/h3-15,24H,1-2H3,(H,29,30)