2-azanyl-5-[[4-(2-hydroxyethylsulfonyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[[4-(2-hydroxyethylsulfonyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 2-amino-5-[[4-(2-hydroxyethylsulfonyl)benzoyl]amino]benzenesulfonic acid CAS Name: 2-amino-5-[[[4-(2-hydroxyethylsulfonyl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-5-[[4-(2-hydroxyethylsulfonyl)benzoyl]amino]benzenesulfonic acid Traditional Name: 2-amino-5-[[4-(2-hydroxyethylsulfonyl)benzoyl]amino]besylic acid Formula: C15H16N2O7S2 MolecularWeight: 400.42674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)CCO

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)CCO

InChI

InChI=1S/C15H16N2O7S2/c16-13-6-3-11(9-14(13)26(22,23)24)17-15(19)10-1-4-12(5-2-10)25(20,21)8-7-18/h1-6,9,18H,7-8,16H2,(H,17,19)(H,22,23,24)