2-[(4-fluorophenyl)sulfonyl-(4-methylphenyl)amino]-N-(pyridin-1-ium-4-ylmethyl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)sulfonyl-(4-methylphenyl)amino]-N-(pyridin-1-ium-4-ylmethyl)ethanamide Openeye Name: 2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)-N-(pyridin-1-ium-4-ylmethyl)acetamide CAS Name: 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(pyridin-1-ium-4-ylmethyl)acetamide Traditional Name: 2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)-N-(pyridin-1-ium-4-ylmethyl)acetamide Formula: C21H21FN3O3S+ MolecularWeight: 414.473143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=[NH+]C=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCC2=CC=[NH+]C=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3S/c1-16-2-6-19(7-3-16)25(29(27,28)20-8-4-18(22)5-9-20)15-21(26)24-14-17-10-12-23-13-11-17/h2-13H,14-15H2,1H3,(H,24,26)/p+1