disodium 5-(phenylcarbamoylamino)-2-[(Z)-2-[4-(phenylcarbamoylamino)-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: disodium 5-(phenylcarbamoylamino)-2-[(Z)-2-[4-(phenylcarbamoylamino)-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 5-(phenylcarbamoylamino)-2-[(Z)-2-[4-(phenylcarbamoylamino)-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 5-[[anilino(oxo)methyl]amino]-2-[(Z)-2-[4-[[anilino(oxo)methyl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 5-(phenylcarbamoylamino)-2-[(Z)-2-[4-(phenylcarbamoylamino)-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 5-(phenylcarbamoylamino)-2-[(Z)-2-[4-(phenylcarbamoylamino)-2-sulfonato-phenyl]vinyl]besylate Formula: C28H22N4Na2O8S2 MolecularWeight: 652.60582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC(=O)NC4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O8S2.2Na/c33-27(29-21-7-3-1-4-8-21)31-23-15-13-19(25(17-23)41(35,36)37)11-12-20-14-16-24(18-26(20)42(38,39)40)32-28(34)30-22-9-5-2-6-10-22;;/h1-18H,(H2,29,31,33)(H2,30,32,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b12-11-;;