3-bromanyl-N-(2-cyanoethyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide

Systemtic Name: 3-bromanyl-N-(2-cyanoethyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Openeye Name: 3-bromo-N-(2-cyanoethyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide CAS Name: 3-bromo-N-(2-cyanoethyl)-4-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-bromo-N-(2-cyanoethyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Traditional Name: 3-bromo-N-(2-cyanoethyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Formula: C16H23BrN3O4S+ MolecularWeight: 433.34052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC#N)CC[NH+]2CCOCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC#N)CC[NH+]2CCOCC2)Br

InChI

InChI=1S/C16H22BrN3O4S/c1-23-16-4-3-14(13-15(16)17)25(21,22)20(6-2-5-18)8-7-19-9-11-24-12-10-19/h3-4,13H,2,6-12H2,1H3/p+1