N-[4-(cyanomethyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitro-N-tosyl-anilino)acetamide Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S/c1-17-5-11-22(12-6-17)33(31,32)26(20-3-2-4-21(15-20)27(29)30)16-23(28)25-19-9-7-18(8-10-19)13-14-24/h2-12,15H,13,16H2,1H3,(H,25,28)