4-methyl-N-[3-(phenylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-(phenylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]benzenesulfonamide Openeye Name: N-(3-benzyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-(phenylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]benzenesulfonamide IUPAC Name: N-(3-benzyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-4-methylbenzenesulfonamide Traditional Name: N-(3-benzyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)-4-methyl-benzenesulfonamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC[NH+](CN2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC[NH+](CN2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-14-7-9-16(10-8-14)24(22,23)20-17-18-12-21(13-19-17)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,18,19,20)/p+1