2-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-(4-benzylpiperazine-1-carbonyl)-2-methyl-propyl]-2-fluoro-benzenesulfonamide CAS Name: 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide Traditional Name: N-[(1S)-1-(4-benzylpiperazine-1-carbonyl)-2-methyl-propyl]-2-fluoro-benzenesulfonamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H28FN3O3S/c1-17(2)21(24-30(28,29)20-11-7-6-10-19(20)23)22(27)26-14-12-25(13-15-26)16-18-8-4-3-5-9-18/h3-11,17,21,24H,12-16H2,1-2H3/t21-/m0/s1