4-methyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)benzenesulfonamide Openeye Name: 4-methyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)benzenesulfonamide CAS Name: 4-methyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)benzenesulfonamide IUPAC Name: 4-methyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)benzenesulfonamide Traditional Name: 4-methyl-N-(3-phenethyl-1,2,3,4-tetrahydro-s-triazine-3,5-diium-6-yl)benzenesulfonamide Formula: C18H24N4O2S+2 MolecularWeight: 360.47376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=[NH+]C[NH+](CN2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=[NH+]C[NH+](CN2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2S/c1-15-7-9-17(10-8-15)25(23,24)21-18-19-13-22(14-20-18)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,19,20,21)/p+2