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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C

InChI

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