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

Systemtic Name: 3-[3-[[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[(4-tert-butylphenyl)methyl-methylsulfonylamino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-tert-butylphenyl)methyl-methylsulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-tert-butylbenzyl)-mesyl-amino]methyl]phenyl]propionic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-22(2,3)20-11-8-18(9-12-20)15-23(28(4,26)27)16-19-7-5-6-17(14-19)10-13-21(24)25/h5-9,11-12,14H,10,13,15-16H2,1-4H3,(H,24,25)