2-quinolin-8-ylsulfonyloctanoic acid

Systemtic Name: 2-quinolin-8-ylsulfonyloctanoic acid Openeye Name: 2-(8-quinolylsulfonyl)octanoic acid CAS Name: 2-(8-quinolinylsulfonyl)octanoic acid IUPAC Name: 2-quinolin-8-ylsulfonyloctanoic acid Traditional Name: 2-(8-quinolylsulfonyl)caprylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C17H21NO4S/c1-2-3-4-5-10-15(17(19)20)23(21,22)14-11-6-8-13-9-7-12-18-16(13)14/h6-9,11-12,15H,2-5,10H2,1H3,(H,19,20)