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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-16(2)11-17-7-9-18(10-8-17)14-22(27(3,25)26)15-20-6-4-5-19(12-20)13-21(23)24/h4-10,12,16H,11,13-15H2,1-3H3,(H,23,24)