2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(3-ethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(3-ethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[(3-ethoxyphenyl)methyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-(3-ethoxybenzyl)acetamide Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C18H21BrN2O4S/c1-3-25-17-9-4-6-14(10-17)12-20-18(22)13-21(26(2,23)24)16-8-5-7-15(19)11-16/h4-11H,3,12-13H2,1-2H3,(H,20,22)