3-[5-phenyl-4-(3-propan-2-ylsulfonylbenzimidazol-5-yl)-1H-imidazol-2-yl]propanoic acid

Systemtic Name: 3-[5-phenyl-4-(3-propan-2-ylsulfonylbenzimidazol-5-yl)-1H-imidazol-2-yl]propanoic acid Openeye Name: 3-[4-(3-isopropylsulfonylbenzimidazol-5-yl)-5-phenyl-1H-imidazol-2-yl]propanoic acid CAS Name: 3-[5-phenyl-4-(3-propan-2-ylsulfonyl-5-benzimidazolyl)-1H-imidazol-2-yl]propanoic acid IUPAC Name: 3-[5-phenyl-4-(3-propan-2-ylsulfonylbenzimidazol-5-yl)-1H-imidazol-2-yl]propanoic acid Traditional Name: 3-[4-(3-isopropylsulfonylbenzimidazol-5-yl)-5-phenyl-1H-imidazol-2-yl]propionic acid Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C=NC2=C1C=C(C=C2)C3=C(NC(=N3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)N1C=NC2=C1C=C(C=C2)C3=C(NC(=N3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-14(2)31(29,30)26-13-23-17-9-8-16(12-18(17)26)22-21(15-6-4-3-5-7-15)24-19(25-22)10-11-20(27)28/h3-9,12-14H,10-11H2,1-2H3,(H,24,25)(H,27,28)