4-azanyl-3-[3-[2-(2-hydroxyethylsulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]benzenesulfonic acid

Systemtic Name: 4-azanyl-3-[3-[2-(2-hydroxyethylsulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]benzenesulfonic acid Openeye Name: 4-amino-3-[3-[2-(2-hydroxyethylsulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]benzenesulfonic acid CAS Name: 4-amino-3-[3-[2-(2-hydroxyethylsulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]benzenesulfonic acid IUPAC Name: 4-amino-3-[3-[2-(2-hydroxyethylsulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]benzenesulfonic acid Traditional Name: 4-amino-3-[3-[2-(2-hydroxyethylsulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]besylic acid Formula: C12H15N3O7S2 MolecularWeight: 377.3934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C2=NC(=NO2)CCS(=O)(=O)CCO)N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C2=NC(=NO2)CCS(=O)(=O)CCO)N

InChI

InChI=1S/C12H15N3O7S2/c13-10-2-1-8(24(19,20)21)7-9(10)12-14-11(15-22-12)3-5-23(17,18)6-4-16/h1-2,7,16H,3-6,13H2,(H,19,20,21)