tert-butyl 2-[3-[(3-chlorophenyl)methylsulfonyl]-6-methyl-1-(methylamino)-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(3-chlorophenyl)methylsulfonyl]-6-methyl-1-(methylamino)-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(3-chlorophenyl)methylsulfonyl]-6-methyl-1-(methylamino)-2-oxo-pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[(3-chlorophenyl)methylsulfonyl]-6-methyl-1-(methylamino)-2-oxo-1-pyridin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-chlorophenyl)methylsulfonyl]-6-methyl-1-(methylamino)-2-oxopyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-(3-chlorobenzyl)sulfonyl-2-keto-6-methyl-1-(methylamino)pyridin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C20H26ClN2O5S+ MolecularWeight: 441.94884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)[N+]1(CC(=O)OC(C)(C)C)NC)S(=O)(=O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=C(C(=O)[N+]1(CC(=O)OC(C)(C)C)NC)S(=O)(=O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H26ClN2O5S/c1-14-9-10-17(29(26,27)13-15-7-6-8-16(21)11-15)19(25)23(14,22-5)12-18(24)28-20(2,3)4/h6-11,22H,12-13H2,1-5H3/q+1