2-[(4-fluoranyl-3-nitro-phenyl)amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-fluoranyl-3-nitro-phenyl)amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-fluoro-3-nitro-anilino)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-fluoro-3-nitroanilino)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-fluoro-3-nitroanilino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(4-fluoro-3-nitro-anilino)-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C22H21FN4O5S MolecularWeight: 472.489343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21FN4O5S/c23-20-8-6-18(14-21(20)27(29)30)24-15-22(28)25-9-11-26(12-10-25)33(31,32)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14,24H,9-12,15H2