3-[5-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(2-acetamido-4-methyl-thiazol-5-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[(2-acetamido-4-methyl-5-thiazolyl)sulfonylamino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(2-acetamido-4-methyl-thiazol-5-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O5S2/c1-13-21(33-22(24-13)25-14(2)28)34(31,32)26-16-8-9-18-17(10-16)23-12-27(18)19(11-20(29)30)15-6-4-3-5-7-15/h3-10,12,19,26H,11H2,1-2H3,(H,29,30)(H,24,25,28)