disodium 2-[(2E)-2-[5-azanylidene-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]-4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonate

Systemtic Name: disodium 2-[(2E)-2-[5-azanylidene-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]-4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonate Openeye Name: disodium 4-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-2-[(2E)-2-[5-imino-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylidene]hydrazino]benzenesulfonate CAS Name: disodium 4-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-2-[(2E)-2-[5-imino-3-methyl-1-(3-sulfonatophenyl)-4-pyrazolylidene]hydrazinyl]benzenesulfonate IUPAC Name: disodium 4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-[(2E)-2-[5-imino-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonate Traditional Name: disodium 4-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]-2-[(N'E)-N'-[5-imino-3-methyl-1-(3-sulfonatophenyl)-2-pyrazolin-4-ylidene]hydrazino]besylate Formula: C22H19ClN8Na2O8S3 MolecularWeight: 701.0626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC(=C(C=C2)S(=O)(=O)[O-])NN=C3C(=NN(C3=N)C4=CC(=CC=C4)S(=O)(=O)[O-])C)Cl.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC(=C(C=C2)S(=O)(=O)[O-])N/N=C/3\C(=NN(C3=N)C4=CC(=CC=C4)S(=O)(=O)[O-])C)Cl.[Na+].[Na+]

InChI

InChI=1S/C22H21ClN8O8S3.2Na/c1-11-18(23)21(27-22(25-11)40(3,32)33)26-13-7-8-17(42(37,38)39)16(9-13)28-29-19-12(2)30-31(20(19)24)14-5-4-6-15(10-14)41(34,35)36;;/h4-10,24,28H,1-3H3,(H,25,26,27)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b24-20?,29-19+;;