N-[3-(azepan-1-ium-1-yl)propyl]-5-bromanyl-2-ethoxy-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-5-bromanyl-2-ethoxy-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-5-bromo-2-ethoxy-benzenesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-5-bromo-2-ethoxybenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-5-bromo-2-ethoxybenzenesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-5-bromo-2-ethoxy-benzenesulfonamide Formula: C17H28BrN2O3S+ MolecularWeight: 420.38482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C17H27BrN2O3S/c1-2-23-16-9-8-15(18)14-17(16)24(21,22)19-10-7-13-20-11-5-3-4-6-12-20/h8-9,14,19H,2-7,10-13H2,1H3/p+1