4-[(4-benzamidopyridin-1-ium-1-yl)methyl]benzenesulfonyl fluoride; propan-2-one

Systemtic Name: 4-[(4-benzamidopyridin-1-ium-1-yl)methyl]benzenesulfonyl fluoride; propan-2-one Openeye Name: acetone; 4-[(4-benzamidopyridin-1-ium-1-yl)methyl]benzenesulfonyl fluoride CAS Name: 4-[(4-benzamido-1-pyridin-1-iumyl)methyl]benzenesulfonyl fluoride; 2-propanone IUPAC Name: 4-[(4-benzamidopyridin-1-ium-1-yl)methyl]benzenesulfonyl fluoride; propan-2-one Traditional Name: acetone; 4-[(4-benzamidopyridin-1-ium-1-yl)methyl]benzenesulfonyl fluoride Formula: C22H22FN2O4S+ MolecularWeight: 429.484483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1=CC=C(C=C1)C(=O)NC2=CC=[N+](C=C2)CC3=CC=C(C=C3)S(=O)(=O)F

Isomeric SMILES

CC(=O)C.C1=CC=C(C=C1)C(=O)NC2=CC=[N+](C=C2)CC3=CC=C(C=C3)S(=O)(=O)F

InChI

InChI=1S/C19H15FN2O3S.C3H6O/c20-26(24,25)18-8-6-15(7-9-18)14-22-12-10-17(11-13-22)21-19(23)16-4-2-1-3-5-16;1-3(2)4/h1-13H,14H2;1-2H3/p+1