4-methyl-N-[2-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2H-pyridin-1-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2H-pyridin-1-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[1-[2-(p-tolylsulfonylamino)ethyl]-2H-pyridin-1-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2H-pyridin-1-ium-1-yl]ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2H-pyridin-1-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[1-[2-(tosylamino)ethyl]-2H-pyridin-1-ium-1-yl]ethyl]benzenesulfonamide Formula: C23H30N3O4S2+ MolecularWeight: 476.632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC[N+]2(CC=CC=C2)CCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[N+]2(CC=CC=C2)CCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N3O4S2/c1-20-6-10-22(11-7-20)31(27,28)24-14-18-26(16-4-3-5-17-26)19-15-25-32(29,30)23-12-8-21(2)9-13-23/h3-13,16,24-25H,14-15,17-19H2,1-2H3/q+1