methyl 2-methyl-3-methylsulfonyl-4-pyrrol-1-yl-benzoate

Systemtic Name: methyl 2-methyl-3-methylsulfonyl-4-pyrrol-1-yl-benzoate Openeye Name: methyl 2-methyl-3-methylsulfonyl-4-pyrrol-1-yl-benzoate CAS Name: 2-methyl-3-methylsulfonyl-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-methylsulfonyl-4-pyrrol-1-ylbenzoate Traditional Name: 3-mesyl-2-methyl-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)C)N2C=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)C)N2C=CC=C2)C(=O)OC

InChI

InChI=1S/C14H15NO4S/c1-10-11(14(16)19-2)6-7-12(13(10)20(3,17)18)15-8-4-5-9-15/h4-9H,1-3H3