N-[2-(3-fluoranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamoyl chloride

Systemtic Name: N-[2-(3-fluoranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamoyl chloride Openeye Name: N-[2-(3-fluoropiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamoyl chloride CAS Name: N-[2-(3-fluoro-1-piperazinyl)-4-propan-2-ylsulfonylphenyl]sulfamoyl chloride IUPAC Name: N-[2-(3-fluoropiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamoyl chloride Traditional Name: N-[2-(3-fluoropiperazino)-4-isopropylsulfonyl-phenyl]sulfamoyl chloride Formula: C13H19ClFN3O4S2 MolecularWeight: 399.889063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClFN3O4S2/c1-9(2)23(19,20)10-3-4-11(17-24(14,21)22)12(7-10)18-6-5-16-13(15)8-18/h3-4,7,9,13,16-17H,5-6,8H2,1-2H3