3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-sulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: 3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-sulfonamide; 4-methylbenzenesulfonic acid Openeye Name: 3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-sulfonamide; 4-methylbenzenesulfonic acid CAS Name: 3-ethyl-2-methyl-N,1-diphenyl-5-benzimidazol-3-iumsulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: 3-ethyl-2-methyl-N,1-diphenylbenzimidazol-3-ium-5-sulfonamide; 4-methylbenzenesulfonic acid Traditional Name: 3-ethyl-2-methyl-N,1-diphenyl-benzimidazol-3-ium-5-sulfonamide; tosylic acid Formula: C29H30N3O5S2+ MolecularWeight: 564.6956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H22N3O2S.C7H8O3S/c1-3-24-17(2)25(19-12-8-5-9-13-19)21-15-14-20(16-22(21)24)28(26,27)23-18-10-6-4-7-11-18;1-6-2-4-7(5-3-6)11(8,9)10/h4-16,23H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;