methyl 4-bromanyl-2-(diethylaminomethyl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-bromanyl-2-(diethylaminomethyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 4-bromo-2-(diethylaminomethyl)-5-methylsulfonyl-benzoate CAS Name: 4-bromo-2-(diethylaminomethyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-(diethylaminomethyl)-5-methylsulfonylbenzoate Traditional Name: 4-bromo-2-(diethylaminomethyl)-5-mesyl-benzoic acid methyl ester Formula: C14H20BrNO4S MolecularWeight: 378.2819

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)Br

Isomeric SMILES

CCN(CC)CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)Br

InChI

InChI=1S/C14H20BrNO4S/c1-5-16(6-2)9-10-7-12(15)13(21(4,18)19)8-11(10)14(17)20-3/h7-8H,5-6,9H2,1-4H3