methyl 4-[3-bromanylpropyl(methylsulfonyl)amino]-3-methoxy-benzoate

Systemtic Name: methyl 4-[3-bromanylpropyl(methylsulfonyl)amino]-3-methoxy-benzoate Openeye Name: methyl 4-[3-bromopropyl(methylsulfonyl)amino]-3-methoxy-benzoate CAS Name: 4-[3-bromopropyl(methylsulfonyl)amino]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[3-bromopropyl(methylsulfonyl)amino]-3-methoxybenzoate Traditional Name: 4-[3-bromopropyl(mesyl)amino]-3-methoxy-benzoic acid methyl ester Formula: C13H18BrNO5S MolecularWeight: 380.25472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)N(CCCBr)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)N(CCCBr)S(=O)(=O)C

InChI

InChI=1S/C13H18BrNO5S/c1-19-12-9-10(13(16)20-2)5-6-11(12)15(8-4-7-14)21(3,17)18/h5-6,9H,4,7-8H2,1-3H3