7-[[4-(2-methylpropyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[4-(2-methylpropyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-isobutylphenyl)methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-(2-methylpropyl)phenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-(2-methylpropyl)phenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-isobutylbenzyl)-mesyl-amino]enanthic acid Formula: C19H31NO4S MolecularWeight: 369.51874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H31NO4S/c1-16(2)14-17-9-11-18(12-10-17)15-20(25(3,23)24)13-7-5-4-6-8-19(21)22/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,22)