2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazino]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C19H21FN4O5S MolecularWeight: 436.457243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H21FN4O5S/c1-14-4-2-7-17(24(26)27)19(14)21-18(25)13-22-8-10-23(11-9-22)30(28,29)16-6-3-5-15(20)12-16/h2-7,12H,8-11,13H2,1H3,(H,21,25)