N-(2-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-fluorophenyl)-4-methyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-fluorophenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-fluorophenyl)-4-methyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]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=C2F)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

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