2-azanyl-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]carbonylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carbonyl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[[5-(2-hydroxyethyl)-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carbonyl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carbonyl]amino]besylic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N)CCO

Isomeric SMILES

C1CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N)CCO

InChI

InChI=1S/C15H18N2O5S/c16-13-9-12(4-5-14(13)23(20,21)22)17-15(19)11-3-1-2-10(8-11)6-7-18/h3-5,8-9,18H,1-2,6-7,16H2,(H,17,19)(H,20,21,22)