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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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