4-bromanyl-N-cyclopropyl-3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C20H21BrFN3O3S MolecularWeight: 482.366443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21BrFN3O3S/c21-19-8-7-17(29(27,28)23-15-3-4-15)13-18(19)20(26)25-11-9-24(10-12-25)16-5-1-14(22)2-6-16/h1-2,5-8,13,15,23H,3-4,9-12H2