N-[2-(3-oxidanylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamoyl fluoride

Systemtic Name: N-[2-(3-oxidanylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamoyl fluoride Openeye Name: N-[2-(3-hydroxypiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamoyl fluoride CAS Name: N-[2-(3-hydroxy-1-piperazinyl)-4-propan-2-ylsulfonylphenyl]sulfamoyl fluoride IUPAC Name: N-[2-(3-hydroxypiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamoyl fluoride Traditional Name: N-[2-(3-hydroxypiperazino)-4-isopropylsulfonyl-phenyl]sulfamoyl fluoride Formula: C13H20FN3O5S2 MolecularWeight: 381.443403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)F)N2CCNC(C2)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)F)N2CCNC(C2)O

InChI

InChI=1S/C13H20FN3O5S2/c1-9(2)23(19,20)10-3-4-11(16-24(14,21)22)12(7-10)17-6-5-15-13(18)8-17/h3-4,7,9,13,15-16,18H,5-6,8H2,1-2H3