3-[[4-acetamido-2-(3-indazol-1-ylbutan-2-yloxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-acetamido-2-(3-indazol-1-ylbutan-2-yloxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-(2-indazol-1-yl-1-methyl-propoxy)phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[3-(1-indazolyl)butan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-(3-indazol-1-ylbutan-2-yloxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-(2-indazol-1-yl-1-methyl-propoxy)phenyl]sulfonylamino]-4-keto-butyric acid Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O)N2C3=CC=CC=C3C=N2

Isomeric SMILES

CC(C(C)OC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O)N2C3=CC=CC=C3C=N2

InChI

InChI=1S/C23H26N4O7S/c1-14(27-20-7-5-4-6-17(20)12-24-27)15(2)34-21-10-18(25-16(3)29)8-9-22(21)35(32,33)26-19(13-28)11-23(30)31/h4-10,12-15,19,26H,11H2,1-3H3,(H,25,29)(H,30,31)