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

Systemtic Name: 2-[3-[[(4-methylphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl(p-tolylmethyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-methylphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-methylphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[mesyl-(4-methylbenzyl)amino]methyl]phenyl]acetic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H21NO4S/c1-14-6-8-15(9-7-14)12-19(24(2,22)23)13-17-5-3-4-16(10-17)11-18(20)21/h3-10H,11-13H2,1-2H3,(H,20,21)