3-[5-[(1-methylimidazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(1-methylimidazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(1-methylimidazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[(1-methyl-4-imidazolyl)sulfonylamino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(1-methylimidazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(1-methylimidazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O4S/c1-24-11-19(22-12-24)30(28,29)23-15-7-8-17-16(9-15)21-13-25(17)18(10-20(26)27)14-5-3-2-4-6-14/h2-9,11-13,18,23H,10H2,1H3,(H,26,27)