1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-bromo-2-fluoro-phenoxy)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(4-bromo-2-fluorophenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(4-bromo-2-fluoro-phenoxy)ethanone Formula: C18H25BrFN3O4S MolecularWeight: 478.376203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H25BrFN3O4S/c19-15-5-6-17(16(20)13-15)27-14-18(24)21-9-11-23(12-10-21)28(25,26)22-7-3-1-2-4-8-22/h5-6,13H,1-4,7-12,14H2