8-(naphthalen-2-ylsulfonylamino)-6-(pyridin-3-ylmethyl)octanoic acid

Systemtic Name: 8-(naphthalen-2-ylsulfonylamino)-6-(pyridin-3-ylmethyl)octanoic acid Openeye Name: 8-(2-naphthylsulfonylamino)-6-(3-pyridylmethyl)octanoic acid CAS Name: 8-(2-naphthalenylsulfonylamino)-6-(3-pyridinylmethyl)octanoic acid IUPAC Name: 8-(naphthalen-2-ylsulfonylamino)-6-(pyridin-3-ylmethyl)octanoic acid Traditional Name: 8-(2-naphthylsulfonylamino)-6-(3-pyridylmethyl)caprylic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(CCCCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(CCCCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C24H28N2O4S/c27-24(28)10-4-1-6-19(16-20-7-5-14-25-18-20)13-15-26-31(29,30)23-12-11-21-8-2-3-9-22(21)17-23/h2-3,5,7-9,11-12,14,17-19,26H,1,4,6,10,13,15-16H2,(H,27,28)