2-(4-bromophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(4-bromophenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(4-bromophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(4-bromophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(4-bromophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C17H18BrN3O5S MolecularWeight: 456.31092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O5S/c1-27(25,26)14-6-7-15(16(11-14)21(23)24)19-8-9-20-17(22)10-12-2-4-13(18)5-3-12/h2-7,11,19H,8-10H2,1H3,(H,20,22)