2-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-butanoic acid

Systemtic Name: 2-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-butanoic acid Openeye Name: 2-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-butanoic acid CAS Name: 2-(1H-imidazol-2-ylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylbutanoic acid IUPAC Name: 2-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylbutanoic acid Traditional Name: 2-(1H-imidazol-2-ylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-butyric acid Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C(=O)O)(NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC)SC4=NC=CN4

Isomeric SMILES

CC(C1=CC=CC=C1)C(C(=O)O)(NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC)SC4=NC=CN4

InChI

InChI=1S/C26H25N3O5S2/c1-18(19-6-4-3-5-7-19)26(24(30)31,35-25-27-16-17-28-25)29-36(32,33)23-14-10-21(11-15-23)20-8-12-22(34-2)13-9-20/h3-18,29H,1-2H3,(H,27,28)(H,30,31)