methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate

Systemtic Name: methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate Openeye Name: methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate CAS Name: 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate Traditional Name: 3-[(2-bromophenyl)sulfonyl-(2,5-dimethoxybenzyl)amino]propionic acid methyl ester Formula: C19H22BrNO6S MolecularWeight: 472.35008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CCC(=O)OC)S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CCC(=O)OC)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H22BrNO6S/c1-25-15-8-9-17(26-2)14(12-15)13-21(11-10-19(22)27-3)28(23,24)18-7-5-4-6-16(18)20/h4-9,12H,10-11,13H2,1-3H3