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

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-veratryl-acetamide Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O5S/c1-25-16-8-7-13(9-17(16)26-2)11-20-18(22)12-21(27(3,23)24)15-6-4-5-14(19)10-15/h4-10H,11-12H2,1-3H3,(H,20,22)