sodium 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: sodium 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: sodium 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: sodium 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: sodium 4-benzamido-2-[[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylate Formula: C23H17ClN5NaO5S MolecularWeight: 533.91935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4Cl.[Na+]

InChI

InChI=1S/C23H18ClN5O5S.Na/c1-14-21(23(31)29(28-14)19-10-6-5-9-17(19)24)27-26-18-13-16(11-12-20(18)35(32,33)34)25-22(30)15-7-3-2-4-8-15;/h2-13,21H,1H3,(H,25,30)(H,32,33,34);/q;+1/p-1