N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Formula: C16H24N5O3S2+ MolecularWeight: 398.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C16H23N5O3S2/c1-20-15(13-3-5-14(6-4-13)19-26(2,22)23)17-18-16(20)25-12-9-21-7-10-24-11-8-21/h3-6,19H,7-12H2,1-2H3/p+1