5-[(4-methylphenyl)carbamoylamino]-2-[4-[(4-methylphenyl)carbamoylamino]-2-sulfo-phenyl]benzenesulfonic acid

Systemtic Name: 5-[(4-methylphenyl)carbamoylamino]-2-[4-[(4-methylphenyl)carbamoylamino]-2-sulfo-phenyl]benzenesulfonic acid Openeye Name: 5-(p-tolylcarbamoylamino)-2-[4-(p-tolylcarbamoylamino)-2-sulfo-phenyl]benzenesulfonic acid CAS Name: 5-[[(4-methylanilino)-oxomethyl]amino]-2-[4-[[(4-methylanilino)-oxomethyl]amino]-2-sulfophenyl]benzenesulfonic acid IUPAC Name: 5-[(4-methylphenyl)carbamoylamino]-2-[4-[(4-methylphenyl)carbamoylamino]-2-sulfophenyl]benzenesulfonic acid Traditional Name: 5-(p-tolylcarbamoylamino)-2-[4-(p-tolylcarbamoylamino)-2-sulfo-phenyl]besylic acid Formula: C28H26N4O8S2 MolecularWeight: 610.65804

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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

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

InChI

InChI=1S/C28H26N4O8S2/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)