phenyl 2-(3-fluoranylpiperazin-1-yl)-5-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 2-(3-fluoranylpiperazin-1-yl)-5-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 2-(3-fluoropiperazin-1-yl)-5-isopropylsulfonyl-benzenesulfonate CAS Name: 2-(3-fluoro-1-piperazinyl)-5-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-fluoropiperazin-1-yl)-5-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 2-(3-fluoropiperazino)-5-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C19H23FN2O5S2 MolecularWeight: 442.524723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)F)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)F)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H23FN2O5S2/c1-14(2)28(23,24)16-8-9-17(22-11-10-21-19(20)13-22)18(12-16)29(25,26)27-15-6-4-3-5-7-15/h3-9,12,14,19,21H,10-11,13H2,1-2H3