sodium [4-fluoranyl-2-[[(1S)-1-phenylpropyl]carbamoyl]phenyl]-quinolin-8-ylsulfonyl-azanide

Systemtic Name: sodium [4-fluoranyl-2-[[(1S)-1-phenylpropyl]carbamoyl]phenyl]-quinolin-8-ylsulfonyl-azanide Openeye Name: sodium [4-fluoro-2-[[(1S)-1-phenylpropyl]carbamoyl]phenyl]-(8-quinolylsulfonyl)azanide CAS Name: sodium [4-fluoro-2-[oxo-[[(1S)-1-phenylpropyl]amino]methyl]phenyl]-(8-quinolinylsulfonyl)azanide IUPAC Name: sodium [4-fluoro-2-[[(1S)-1-phenylpropyl]carbamoyl]phenyl]-quinolin-8-ylsulfonylazanide Traditional Name: sodium [4-fluoro-2-[[(1S)-1-phenylpropyl]carbamoyl]phenyl]-(8-quinolylsulfonyl)azanide Formula: C25H21FN3NaO3S MolecularWeight: 485.505713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)F)[N-]S(=O)(=O)C3=CC=CC4=C3N=CC=C4.[Na+]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)F)[N-]S(=O)(=O)C3=CC=CC4=C3N=CC=C4.[Na+]

InChI

InChI=1S/C25H22FN3O3S.Na/c1-2-21(17-8-4-3-5-9-17)28-25(30)20-16-19(26)13-14-22(20)29-33(31,32)23-12-6-10-18-11-7-15-27-24(18)23;/h3-16,21H,2H2,1H3,(H2,28,29,30);/q;+1/p-1/t21-;/m0./s1