N-[4-fluoranyl-5-(3-methylpiperazin-1-yl)-2-nitro-phenyl]methanesulfonamide

Systemtic Name: N-[4-fluoranyl-5-(3-methylpiperazin-1-yl)-2-nitro-phenyl]methanesulfonamide Openeye Name: N-[4-fluoro-5-(3-methylpiperazin-1-yl)-2-nitro-phenyl]methanesulfonamide CAS Name: N-[4-fluoro-5-(3-methyl-1-piperazinyl)-2-nitrophenyl]methanesulfonamide IUPAC Name: N-[4-fluoro-5-(3-methylpiperazin-1-yl)-2-nitrophenyl]methanesulfonamide Traditional Name: N-[4-fluoro-5-(3-methylpiperazino)-2-nitro-phenyl]methanesulfonamide Formula: C12H17FN4O4S MolecularWeight: 332.351183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC(=C(C=C2F)[N+](=O)[O-])NS(=O)(=O)C

Isomeric SMILES

CC1CN(CCN1)C2=CC(=C(C=C2F)[N+](=O)[O-])NS(=O)(=O)C

InChI

InChI=1S/C12H17FN4O4S/c1-8-7-16(4-3-14-8)11-6-10(15-22(2,20)21)12(17(18)19)5-9(11)13/h5-6,8,14-15H,3-4,7H2,1-2H3