3-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[mesyl-(4-phenoxybenzyl)amino]methyl]phenyl]propionic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)OC2=CC=CC=C2)CC3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)OC2=CC=CC=C2)CC3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C24H25NO5S/c1-31(28,29)25(18-21-7-5-6-19(16-21)12-15-24(26)27)17-20-10-13-23(14-11-20)30-22-8-3-2-4-9-22/h2-11,13-14,16H,12,15,17-18H2,1H3,(H,26,27)