phenyl 1-[1-(2-chlorophenyl)-3-[(4-dodecylsulfonylphenyl)amino]-5-oxidanylidene-4H-pyrazol-4-yl]benzotriazole-5-carboxylate

Systemtic Name: phenyl 1-[1-(2-chlorophenyl)-3-[(4-dodecylsulfonylphenyl)amino]-5-oxidanylidene-4H-pyrazol-4-yl]benzotriazole-5-carboxylate Openeye Name: phenyl 1-[1-(2-chlorophenyl)-3-(4-dodecylsulfonylanilino)-5-oxo-4H-pyrazol-4-yl]benzotriazole-5-carboxylate CAS Name: 1-[1-(2-chlorophenyl)-3-(4-dodecylsulfonylanilino)-5-oxo-4H-pyrazol-4-yl]-5-benzotriazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[1-(2-chlorophenyl)-3-(4-dodecylsulfonylanilino)-5-oxo-4H-pyrazol-4-yl]benzotriazole-5-carboxylate Traditional Name: 1-[1-(2-chlorophenyl)-5-keto-3-(4-laurylsulfonylanilino)-2-pyrazolin-4-yl]benzotriazole-5-carboxylic acid phenyl ester Formula: C40H43ClN6O5S MolecularWeight: 755.32462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=O)C2N3C4=C(C=C(C=C4)C(=O)OC5=CC=CC=C5)N=N3)C6=CC=CC=C6Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=O)C2N3C4=C(C=C(C=C4)C(=O)OC5=CC=CC=C5)N=N3)C6=CC=CC=C6Cl

InChI

InChI=1S/C40H43ClN6O5S/c1-2-3-4-5-6-7-8-9-10-16-27-53(50,51)32-24-22-30(23-25-32)42-38-37(39(48)47(44-38)35-20-15-14-19-33(35)41)46-36-26-21-29(28-34(36)43-45-46)40(49)52-31-17-12-11-13-18-31/h11-15,17-26,28,37H,2-10,16,27H2,1H3,(H,42,44)