3-[[4-acetamido-2-[1-(5-bromanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-acetamido-2-[1-(5-bromanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(5-bromobenzimidazol-1-yl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[1-(5-bromo-1-benzimidazolyl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-[1-(5-bromobenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(5-bromobenzimidazol-1-yl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C22H23BrN4O7S MolecularWeight: 567.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1C=CC(=C2)Br)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC(CN1C=NC2=C1C=CC(=C2)Br)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C22H23BrN4O7S/c1-13(10-27-12-24-18-7-15(23)3-5-19(18)27)34-20-8-16(25-14(2)29)4-6-21(20)35(32,33)26-17(11-28)9-22(30)31/h3-8,11-13,17,26H,9-10H2,1-2H3,(H,25,29)(H,30,31)