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

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-tert-butylphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-tert-butylphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-tert-butylbenzyl)-mesyl-amino]methyl]phenyl]acetic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-21(2,3)19-10-8-16(9-11-19)14-22(27(4,25)26)15-18-7-5-6-17(12-18)13-20(23)24/h5-12H,13-15H2,1-4H3,(H,23,24)