2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-4-oxidanyl-5-phenylsulfanyl-pentanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-4-oxidanyl-5-phenylsulfanyl-pentanoic acid Openeye Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-5-phenylsulfanyl-pentanoic acid CAS Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-5-(phenylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-5-phenylsulfanylpentanoic acid Traditional Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-5-(phenylthio)valeric acid Formula: C25H27NO6S2 MolecularWeight: 501.61498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(CSC1=CC=CC=C1)O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C(CC(CSC1=CC=CC=C1)O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H27NO6S2/c1-26(24(25(28)29)16-20(27)17-33-22-6-4-3-5-7-22)34(30,31)23-14-10-19(11-15-23)18-8-12-21(32-2)13-9-18/h3-15,20,24,27H,16-17H2,1-2H3,(H,28,29)