[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H19NO5S/c1-11-8-15(12(2)18(11)3)16(19)10-23-17(20)13-6-5-7-14(9-13)24(4,21)22/h5-9H,10H2,1-4H3