5-(1H-benzimidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid Openeye Name: 5-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 5-(1H-benzimidazol-2-ylthio)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 5-(1H-benzimidazol-2-ylthio)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]valeric acid Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC4=CC=CC=C4N3)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC4=CC=CC=C4N3)O)C(=O)O

InChI

InChI=1S/C25H25N3O6S2/c1-34-19-10-6-16(7-11-19)17-8-12-20(13-9-17)36(32,33)28-23(24(30)31)14-18(29)15-35-25-26-21-4-2-3-5-22(21)27-25/h2-13,18,23,28-29H,14-15H2,1H3,(H,26,27)(H,30,31)