N-(2-ethyl-6-methyl-phenyl)-2-fluoranyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-fluoranyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-fluoro-5-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-fluoro-5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-fluoro-5-[4-(2-pyridyl)piperazino]sulfonyl-benzamide Formula: C25H27FN4O3S MolecularWeight: 482.570283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)F)C

InChI

InChI=1S/C25H27FN4O3S/c1-3-19-8-6-7-18(2)24(19)28-25(31)21-17-20(10-11-22(21)26)34(32,33)30-15-13-29(14-16-30)23-9-4-5-12-27-23/h4-12,17H,3,13-16H2,1-2H3,(H,28,31)