7-[(4-butoxyphenyl)methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-butoxyphenyl)methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-butoxyphenyl)methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[(4-butoxyphenyl)methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[(4-butoxyphenyl)methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-butoxybenzyl)-mesyl-amino]enanthic acid Formula: C19H31NO5S MolecularWeight: 385.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H31NO5S/c1-3-4-15-25-18-12-10-17(11-13-18)16-20(26(2,23)24)14-8-6-5-7-9-19(21)22/h10-13H,3-9,14-16H2,1-2H3,(H,21,22)