2-[3-[[methylsulfonyl-[(4-phenethylsulfanylphenyl)methyl]amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-phenethylsulfanylphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[(4-phenethylsulfanylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[[4-(phenethylthio)phenyl]methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-phenethylsulfanylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[mesyl-[4-(phenethylthio)benzyl]amino]methyl]phenyl]acetic acid Formula: C25H27NO4S2 MolecularWeight: 469.61618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)SCCC2=CC=CC=C2)CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)SCCC2=CC=CC=C2)CC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C25H27NO4S2/c1-32(29,30)26(19-23-9-5-8-22(16-23)17-25(27)28)18-21-10-12-24(13-11-21)31-15-14-20-6-3-2-4-7-20/h2-13,16H,14-15,17-19H2,1H3,(H,27,28)