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

Systemtic Name: 4-(2-hydroxyethylsulfonyl)-2-[[5-(2-hydroxyethylsulfonyl)-2-sulfo-phenyl]carbamoylamino]benzenesulfonic acid Openeye Name: 4-(2-hydroxyethylsulfonyl)-2-[[5-(2-hydroxyethylsulfonyl)-2-sulfo-phenyl]carbamoylamino]benzenesulfonic acid CAS Name: 4-(2-hydroxyethylsulfonyl)-2-[[[5-(2-hydroxyethylsulfonyl)-2-sulfoanilino]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-(2-hydroxyethylsulfonyl)-2-[[5-(2-hydroxyethylsulfonyl)-2-sulfophenyl]carbamoylamino]benzenesulfonic acid Traditional Name: 4-(2-hydroxyethylsulfonyl)-2-[[5-(2-hydroxyethylsulfonyl)-2-sulfo-phenyl]carbamoylamino]besylic acid Formula: C17H20N2O13S4 MolecularWeight: 588.6063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCO)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)CCO)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCO)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)CCO)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H20N2O13S4/c20-5-7-33(23,24)11-1-3-15(35(27,28)29)13(9-11)18-17(22)19-14-10-12(34(25,26)8-6-21)2-4-16(14)36(30,31)32/h1-4,9-10,20-21H,5-8H2,(H2,18,19,22)(H,27,28,29)(H,30,31,32)