2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C16H16BrN3O5S MolecularWeight: 442.28434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C16H16BrN3O5S/c1-11-6-7-14(20(22)23)9-15(11)18-16(21)10-19(26(2,24)25)13-5-3-4-12(17)8-13/h3-9H,10H2,1-2H3,(H,18,21)