3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O5S/c1-13-21(14(2)30-23-13)31(28,29)24-16-8-9-18-17(10-16)22-12-25(18)19(11-20(26)27)15-6-4-3-5-7-15/h3-10,12,19,24H,11H2,1-2H3,(H,26,27)