8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-oxidanidylpyridin-1-ium-3-yl)propyl]octanoic acid

Systemtic Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-oxidanidylpyridin-1-ium-3-yl)propyl]octanoic acid Openeye Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-oxidopyridin-1-ium-3-yl)propyl]octanoic acid CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-oxido-3-pyridin-1-iumyl)propyl]octanoic acid IUPAC Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-oxidopyridin-1-ium-3-yl)propyl]octanoic acid Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-oxidopyridin-1-ium-3-yl)propyl]caprylic acid Formula: C22H29ClN2O5S MolecularWeight: 468.99406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O

InChI

InChI=1S/C22H29ClN2O5S/c23-20-10-12-21(13-11-20)31(29,30)24-15-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-16-25(28)17-19/h4,8,10-13,16-18,24H,1-3,5-7,9,14-15H2,(H,26,27)