4-(1-methylimidazol-2-yl)sulfanyl-4-oxidanyl-2-[(4-phenoxyphenyl)sulfonylmethyl]pentanoic acid

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanyl-4-oxidanyl-2-[(4-phenoxyphenyl)sulfonylmethyl]pentanoic acid Openeye Name: 4-hydroxy-4-(1-methylimidazol-2-yl)sulfanyl-2-[(4-phenoxyphenyl)sulfonylmethyl]pentanoic acid CAS Name: 4-hydroxy-4-[(1-methyl-2-imidazolyl)thio]-2-[(4-phenoxyphenyl)sulfonylmethyl]pentanoic acid IUPAC Name: 4-hydroxy-4-(1-methylimidazol-2-yl)sulfanyl-2-[(4-phenoxyphenyl)sulfonylmethyl]pentanoic acid Traditional Name: 4-hydroxy-4-[(1-methylimidazol-2-yl)thio]-2-[(4-phenoxyphenyl)sulfonylmethyl]valeric acid Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O)(O)SC3=NC=CN3C

Isomeric SMILES

CC(CC(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O)(O)SC3=NC=CN3C

InChI

InChI=1S/C22H24N2O6S2/c1-22(27,31-21-23-12-13-24(21)2)14-16(20(25)26)15-32(28,29)19-10-8-18(9-11-19)30-17-6-4-3-5-7-17/h3-13,16,27H,14-15H2,1-2H3,(H,25,26)