2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-(2,3,4-trimethoxybenzyl)acetamide Formula: C19H23BrN2O6S MolecularWeight: 487.36472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C19H23BrN2O6S/c1-26-16-9-8-13(18(27-2)19(16)28-3)11-21-17(23)12-22(29(4,24)25)15-7-5-6-14(20)10-15/h5-10H,11-12H2,1-4H3,(H,21,23)