3-cyano-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 3-cyano-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 3-cyano-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3-cyano-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 3-cyano-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 3-cyano-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-27(25,26)14-5-6-15(16(10-14)21(23)24)19-7-8-20-17(22)13-4-2-3-12(9-13)11-18/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)