7-[3-(3-methoxyphenyl)propyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[3-(3-methoxyphenyl)propyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[3-(3-methoxyphenyl)propyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[3-(3-methoxyphenyl)propyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[3-(3-methoxyphenyl)propyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[mesyl-[3-(3-methoxyphenyl)propyl]amino]enanthic acid Formula: C18H29NO5S MolecularWeight: 371.49156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)CCCN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H29NO5S/c1-24-17-11-7-9-16(15-17)10-8-14-19(25(2,22)23)13-6-4-3-5-12-18(20)21/h7,9,11,15H,3-6,8,10,12-14H2,1-2H3,(H,20,21)