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

Systemtic Name: 5-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazol-2-yl]-2-methoxy-N,N-dimethyl-benzenesulfonamide Openeye Name: 5-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)oxazol-2-yl]-2-methoxy-N,N-dimethyl-benzenesulfonamide CAS Name: 5-[4-cyano-5-[3-(4-morpholin-4-iumyl)propylamino]-2-oxazolyl]-2-methoxy-N,N-dimethylbenzenesulfonamide IUPAC Name: 5-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazol-2-yl]-2-methoxy-N,N-dimethylbenzenesulfonamide Traditional Name: 5-[4-cyano-5-(3-morpholin-4-ium-4-ylpropylamino)oxazol-2-yl]-2-methoxy-N,N-dimethyl-benzenesulfonamide Formula: C20H28N5O5S+ MolecularWeight: 450.53182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O5S/c1-24(2)31(26,27)18-13-15(5-6-17(18)28-3)19-23-16(14-21)20(30-19)22-7-4-8-25-9-11-29-12-10-25/h5-6,13,22H,4,7-12H2,1-3H3/p+1