8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride

Systemtic Name: 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid hydrochloride Openeye Name: 8-[(4-nitrophenyl)sulfonylamino]-7-(3-pyridyl)octanoic acid hydrochloride CAS Name: 8-[(4-nitrophenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid hydrochloride IUPAC Name: 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid hydrochloride Traditional Name: 8-(nosylamino)-7-(3-pyridyl)caprylic acid hydrochloride Formula: C19H24ClN3O6S MolecularWeight: 457.92836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCCCCC(=O)O)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CN=C1)C(CCCCCC(=O)O)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H23N3O6S.ClH/c23-19(24)7-3-1-2-5-16(15-6-4-12-20-13-15)14-21-29(27,28)18-10-8-17(9-11-18)22(25)26;/h4,6,8-13,16,21H,1-3,5,7,14H2,(H,23,24);1H