disodium 5-[(4-methylphenyl)carbamoylamino]-2-[4-[(4-methylphenyl)carbamoylamino]-2-sulfonato-phenyl]benzenesulfonate

Systemtic Name: disodium 5-[(4-methylphenyl)carbamoylamino]-2-[4-[(4-methylphenyl)carbamoylamino]-2-sulfonato-phenyl]benzenesulfonate Openeye Name: disodium 5-(p-tolylcarbamoylamino)-2-[4-(p-tolylcarbamoylamino)-2-sulfonato-phenyl]benzenesulfonate CAS Name: disodium 5-[[(4-methylanilino)-oxomethyl]amino]-2-[4-[[(4-methylanilino)-oxomethyl]amino]-2-sulfonatophenyl]benzenesulfonate IUPAC Name: disodium 5-[(4-methylphenyl)carbamoylamino]-2-[4-[(4-methylphenyl)carbamoylamino]-2-sulfonatophenyl]benzenesulfonate Traditional Name: disodium 5-(p-tolylcarbamoylamino)-2-[4-(p-tolylcarbamoylamino)-2-sulfonato-phenyl]besylate Formula: C28H24N4Na2O8S2 MolecularWeight: 654.6217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H26N4O8S2.2Na/c1-17-3-7-19(8-4-17)29-27(33)31-21-11-13-23(25(15-21)41(35,36)37)24-14-12-22(16-26(24)42(38,39)40)32-28(34)30-20-9-5-18(2)6-10-20;;/h3-16H,1-2H3,(H2,29,31,33)(H2,30,32,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2