4-fluoranyl-N-[2-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[2-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[2-methyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-methyl-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[2-methyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-methyl-5-[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)C(=O)N2CCN(CC2)C3=NC=CC=N3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

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