2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-5-(7H-purin-2-ylsulfanyl)pentanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-5-(7H-purin-2-ylsulfanyl)pentanoic acid Openeye Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(7H-purin-2-ylsulfanyl)pentanoic acid CAS Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(7H-purin-2-ylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(7H-purin-2-ylsulfanyl)pentanoic acid Traditional Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(7H-purin-2-ylthio)valeric acid Formula: C23H23N5O6S2 MolecularWeight: 529.58862

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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=NC=C4C(=N3)N=CN4)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC=C4C(=N3)N=CN4)O)C(=O)O

InChI

InChI=1S/C23H23N5O6S2/c1-34-17-6-2-14(3-7-17)15-4-8-18(9-5-15)36(32,33)28-19(22(30)31)10-16(29)12-35-23-24-11-20-21(27-23)26-13-25-20/h2-9,11,13,16,19,28-29H,10,12H2,1H3,(H,30,31)(H,24,25,26,27)