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

Systemtic Name: 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-benzamido-2-[[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylic acid Formula: C23H18ClN5O5S MolecularWeight: 511.93752

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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

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

InChI

InChI=1S/C23H18ClN5O5S/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)