4-[[5-methyl-2-[methylsulfonyl-(phenylmethyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2-[methylsulfonyl-(phenylmethyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzyl(methylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[methylsulfonyl-(phenylmethyl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzyl(methylsulfonyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[benzyl(mesyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H23NO5S/c1-17-8-13-21(24(30(2,27)28)15-18-6-4-3-5-7-18)22(14-17)29-16-19-9-11-20(12-10-19)23(25)26/h3-14H,15-16H2,1-2H3,(H,25,26)