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

Systemtic Name: 4-methyl-N-[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Formula: C23H30N5O2S2+ MolecularWeight: 472.6466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC[NH+]4CCCCC4

InChI

InChI=1S/C23H29N5O2S2/c1-18-6-12-21(13-7-18)32(29,30)26-20-10-8-19(9-11-20)22-24-25-23(27(22)2)31-17-16-28-14-4-3-5-15-28/h6-13,26H,3-5,14-17H2,1-2H3/p+1