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

Systemtic Name: methyl 2-ethyl-3-methylsulfonyl-4-pyrrol-1-yl-benzoate Openeye Name: methyl 2-ethyl-3-methylsulfonyl-4-pyrrol-1-yl-benzoate CAS Name: 2-ethyl-3-methylsulfonyl-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-ethyl-3-methylsulfonyl-4-pyrrol-1-ylbenzoate Traditional Name: 2-ethyl-3-mesyl-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)N2C=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)N2C=CC=C2)C(=O)OC

InChI

InChI=1S/C15H17NO4S/c1-4-11-12(15(17)20-2)7-8-13(14(11)21(3,18)19)16-9-5-6-10-16/h5-10H,4H2,1-3H3