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

Systemtic Name: 3-acetamido-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 3-acetamido-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3-acetamido-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 3-acetamido-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 3-acetamido-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-12(23)21-14-5-3-4-13(10-14)18(24)20-9-8-19-16-7-6-15(29(2,27)28)11-17(16)22(25)26/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,24)(H,21,23)