N-[3-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]carbonylphenyl]-3-fluoranyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]carbonylphenyl]-3-fluoranyl-4-methyl-benzenesulfonamide Openeye Name: N-[3-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]phenyl]-3-fluoro-4-methyl-benzenesulfonamide CAS Name: N-[3-[[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide IUPAC Name: N-[3-[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide Traditional Name: N-[3-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]phenyl]-3-fluoro-4-methyl-benzenesulfonamide Formula: C25H22F2N4O3S MolecularWeight: 496.528986

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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=C(C(=CC=C4)F)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N)F

InChI

InChI=1S/C25H22F2N4O3S/c1-17-8-9-20(15-23(17)27)35(33,34)29-19-5-2-4-18(14-19)25(32)31-12-10-30(11-13-31)24-7-3-6-22(26)21(24)16-28/h2-9,14-15,29H,10-13H2,1H3