sodium 2,5-bis(chloranyl)-4-[3-methyl-4-[[4-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 2,5-bis(chloranyl)-4-[3-methyl-4-[[4-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-[4-[benzyl(p-tolylsulfonyl)amino]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichloro-benzenesulfonate CAS Name: sodium 2,5-dichloro-4-[3-methyl-4-[4-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[4-[[4-[benzyl-(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate Traditional Name: sodium 4-[4-[4-[benzyl(tosyl)amino]phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]-2,5-dichloro-besylate Formula: C30H24Cl2N5NaO6S2 MolecularWeight: 708.56723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC(=C(C=C5Cl)S(=O)(=O)[O-])Cl)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC(=C(C=C5Cl)S(=O)(=O)[O-])Cl)C.[Na+]

InChI

InChI=1S/C30H25Cl2N5O6S2.Na/c1-19-8-14-24(15-9-19)44(39,40)36(18-21-6-4-3-5-7-21)23-12-10-22(11-13-23)33-34-29-20(2)35-37(30(29)38)27-16-26(32)28(17-25(27)31)45(41,42)43;/h3-17,29H,18H2,1-2H3,(H,41,42,43);/q;+1/p-1