N-(2,5-dimethylphenyl)-2-fluoranyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-fluoranyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2,5-dimethylphenyl)-2-fluoro-5-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2,5-dimethylphenyl)-2-fluoro-5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2,5-dimethylphenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,5-dimethylphenyl)-2-fluoro-5-[4-(2-pyridyl)piperazino]sulfonyl-benzamide Formula: C24H25FN4O3S MolecularWeight: 468.543703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)F

InChI

InChI=1S/C24H25FN4O3S/c1-17-6-7-18(2)22(15-17)27-24(30)20-16-19(8-9-21(20)25)33(31,32)29-13-11-28(12-14-29)23-5-3-4-10-26-23/h3-10,15-16H,11-14H2,1-2H3,(H,27,30)