2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-5-(thiophen-2-ylmethylsulfanyl)pentanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-5-(thiophen-2-ylmethylsulfanyl)pentanoic acid Openeye Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(2-thienylmethylsulfanyl)pentanoic acid CAS Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(thiophen-2-ylmethylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(thiophen-2-ylmethylsulfanyl)pentanoic acid Traditional Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(2-thenylthio)valeric acid Formula: C23H25NO6S3 MolecularWeight: 507.6427

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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(CSCC3=CC=CS3)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSCC3=CC=CS3)O)C(=O)O

InChI

InChI=1S/C23H25NO6S3/c1-30-19-8-4-16(5-9-19)17-6-10-21(11-7-17)33(28,29)24-22(23(26)27)13-18(25)14-31-15-20-3-2-12-32-20/h2-12,18,22,24-25H,13-15H2,1H3,(H,26,27)