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

Systemtic Name: 3-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]carbonyl-4-methyl-N-(3-methylphenyl)benzenesulfonamide Openeye Name: 3-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-4-methyl-N-(m-tolyl)benzenesulfonamide CAS Name: 3-[[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-oxomethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: 3-[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide Traditional Name: 3-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-4-methyl-N-(m-tolyl)benzenesulfonamide Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN4O3S/c1-18-5-3-6-20(15-18)29-35(33,34)21-10-9-19(2)22(16-21)26(32)31-13-11-30(12-14-31)25-8-4-7-24(27)23(25)17-28/h3-10,15-16,29H,11-14H2,1-2H3