4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-[2-(4-morpholin-4-iumyl)ethylamino]-2-oxazolyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-cyano-5-(2-morpholin-4-ium-4-ylethylamino)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Formula: C18H24N5O4S+ MolecularWeight: 406.47926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C18H23N5O4S/c1-22(2)28(24,25)15-5-3-14(4-6-15)17-21-16(13-19)18(27-17)20-7-8-23-9-11-26-12-10-23/h3-6,20H,7-12H2,1-2H3/p+1