N-[2-chloranyl-5-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-chloranyl-5-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-chloro-5-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-chloro-5-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-chloro-5-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-chloro-5-(4-isovalerylpiperazine-1-carbonyl)phenyl]-4-fluoro-benzenesulfonamide Formula: C22H25ClFN3O4S MolecularWeight: 481.968003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25ClFN3O4S/c1-15(2)13-21(28)26-9-11-27(12-10-26)22(29)16-3-8-19(23)20(14-16)25-32(30,31)18-6-4-17(24)5-7-18/h3-8,14-15,25H,9-13H2,1-2H3