phenyl 4-[2-(fluoranylamino)-1-(3-fluoranylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(fluoranylamino)-1-(3-fluoranylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(fluoroamino)-1-(3-fluoropiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(fluoroamino)-1-(3-fluoro-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(fluoroamino)-1-(3-fluoropiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(fluoroamino)-1-(3-fluoropiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C18H21F2N3O3S MolecularWeight: 397.439446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)F)C(CNF)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)F)C(CNF)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H21F2N3O3S/c19-18-13-23(11-10-21-18)17(12-22-20)14-6-8-16(9-7-14)27(24,25)26-15-4-2-1-3-5-15/h1-9,17-18,21-22H,10-13H2