2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-chloranyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-chloranyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-fluoro-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(4-chloro-2-fluorophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-fluorophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-fluoro-phenyl)acetamide Formula: C18H27ClFN4O3S+ MolecularWeight: 433.948383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H26ClFN4O3S/c19-15-5-6-17(16(20)13-15)21-18(25)14-22-9-11-24(12-10-22)28(26,27)23-7-3-1-2-4-8-23/h5-6,13H,1-4,7-12,14H2,(H,21,25)/p+1