3-methyl-8-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-[4-nitro-2-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazino]sulfonyl-quinoline Formula: C21H19F3N4O4S MolecularWeight: 480.46017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H19F3N4O4S/c1-14-11-15-3-2-4-19(20(15)25-13-14)33(31,32)27-9-7-26(8-10-27)18-6-5-16(28(29)30)12-17(18)21(22,23)24/h2-6,11-13H,7-10H2,1H3