ethyl 1-(4-methylphenyl)sulfonyl-2,5-bis(oxidanylidene)-3-phenylazanyl-pyrrol-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-2,5-bis(oxidanylidene)-3-phenylazanyl-pyrrol-1-ium-1-carboxylate Openeye Name: ethyl 3-anilino-2,5-dioxo-1-(p-tolylsulfonyl)pyrrol-1-ium-1-carboxylate CAS Name: 3-anilino-1-(4-methylphenyl)sulfonyl-2,5-dioxo-1-pyrrol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-anilino-1-(4-methylphenyl)sulfonyl-2,5-dioxopyrrol-1-ium-1-carboxylate Traditional Name: 3-anilino-2,5-diketo-1-tosyl-3-pyrrolin-1-ium-1-carboxylic acid ethyl ester Formula: C20H19N2O6S+ MolecularWeight: 415.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C(=O)C=C(C1=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[N+]1(C(=O)C=C(C1=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N2O6S/c1-3-28-20(25)22(29(26,27)16-11-9-14(2)10-12-16)18(23)13-17(19(22)24)21-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/p+1