4-[4-(3-fluoranyl-4-methyl-5-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-fluoranyl-4-methyl-5-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-fluoro-4-methyl-5-nitro-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3-fluoro-4-methyl-5-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-fluoro-4-methyl-5-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-fluoro-4-methyl-5-nitro-benzoyl)piperazino]sulfonylbenzonitrile Formula: C19H17FN4O5S MolecularWeight: 432.425483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O5S/c1-13-17(20)10-15(11-18(13)24(26)27)19(25)22-6-8-23(9-7-22)30(28,29)16-4-2-14(12-21)3-5-16/h2-5,10-11H,6-9H2,1H3