[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-bromanyl-2-fluoranyl-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-bromanyl-2-fluoranyl-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-bromo-2-fluoro-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(4-bromo-2-fluorophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-bromo-2-fluorophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4-bromo-2-fluoro-phenyl)methanone Formula: C17H23BrFN3O3S MolecularWeight: 448.350223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H23BrFN3O3S/c18-14-5-6-15(16(19)13-14)17(23)20-9-11-22(12-10-20)26(24,25)21-7-3-1-2-4-8-21/h5-6,13H,1-4,7-12H2