methyl 3-methylsulfonyl-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-methylsulfonyl-5-pyrrol-1-yl-benzoate CAS Name: 3-methylsulfonyl-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-5-pyrrol-1-ylbenzoate Traditional Name: 3-mesyl-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)C)N2C=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)C)N2C=CC=C2

InChI

InChI=1S/C13H13NO4S/c1-18-13(15)10-7-11(14-5-3-4-6-14)9-12(8-10)19(2,16)17/h3-9H,1-2H3