N-(4-bromanyl-3-methyl-phenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C16H16BrN3O5S MolecularWeight: 442.28434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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