4-bromanyl-N-cyclopropyl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(2-fluorobenzyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H23BrFN3O3S MolecularWeight: 496.393023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H23BrFN3O3S/c22-19-8-7-17(30(28,29)24-16-5-6-16)13-18(19)21(27)26-11-9-25(10-12-26)14-15-3-1-2-4-20(15)23/h1-4,7-8,13,16,24H,5-6,9-12,14H2