1-methylidene-2,6-bis(oxidanylidene)-3-(phenylmethyl)-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-ium-4-carboxylic acid

Systemtic Name: 1-methylidene-2,6-bis(oxidanylidene)-3-(phenylmethyl)-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-ium-4-carboxylic acid Openeye Name: 3-benzyl-5-(benzylsulfonylamino)-1-methylene-2,6-dioxo-pyrimidin-1-ium-4-carboxylic acid CAS Name: 1-methylene-2,6-dioxo-3-(phenylmethyl)-5-[(phenylmethyl)sulfonylamino]-4-pyrimidin-1-iumcarboxylic acid IUPAC Name: 3-benzyl-5-(benzylsulfonylamino)-1-methylidene-2,6-dioxopyrimidin-1-ium-4-carboxylic acid Traditional Name: 3-benzyl-5-(benzylsulfonylamino)-2,6-diketo-1-methylene-pyrimidin-1-ium-4-carboxylic acid Formula: C20H18N3O6S+ MolecularWeight: 428.43842

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Descriptors Computed from Structure

Canonical SMILES:

C=[N+]1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=[N+]1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O6S/c1-22-18(24)16(21-30(28,29)13-15-10-6-3-7-11-15)17(19(25)26)23(20(22)27)12-14-8-4-2-5-9-14/h2-11,21H,1,12-13H2/p+1