ethyl 2-[1-methyl-2,4-bis(oxidanylidene)-3-[(phenylmethyl)sulfonylamino]pyrimidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[1-methyl-2,4-bis(oxidanylidene)-3-[(phenylmethyl)sulfonylamino]pyrimidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzylsulfonylamino)-1-methyl-2,4-dioxo-pyrimidin-1-ium-1-yl]acetate CAS Name: 2-[1-methyl-2,4-dioxo-3-[(phenylmethyl)sulfonylamino]-1-pyrimidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzylsulfonylamino)-1-methyl-2,4-dioxopyrimidin-1-ium-1-yl]acetate Traditional Name: 2-[3-(benzylsulfonylamino)-2,4-diketo-1-methyl-pyrimidin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H20N3O6S+ MolecularWeight: 382.4115

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(C=CC(=O)N(C1=O)NS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C[N+]1(C=CC(=O)N(C1=O)NS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H20N3O6S/c1-3-25-15(21)11-19(2)10-9-14(20)18(16(19)22)17-26(23,24)12-13-7-5-4-6-8-13/h4-10,17H,3,11-12H2,1-2H3/q+1