3-fluoranyl-4-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 3-fluoro-4-methyl-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 3-fluoro-4-methyl-N-[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 3-fluoro-4-methyl-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 3-fluoro-4-methyl-N-[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)F

InChI

InChI=1S/C22H22FN5O3S/c1-16-6-7-19(15-20(16)23)32(30,31)26-18-5-2-4-17(14-18)21(29)27-10-12-28(13-11-27)22-24-8-3-9-25-22/h2-9,14-15,26H,10-13H2,1H3