N-[[cyanomethyl-(4-methylphenyl)sulfonyl-amino]methyl]-4-nitro-benzamide

Systemtic Name: N-[[cyanomethyl-(4-methylphenyl)sulfonyl-amino]methyl]-4-nitro-benzamide Openeye Name: N-[[cyanomethyl(p-tolylsulfonyl)amino]methyl]-4-nitro-benzamide CAS Name: N-[[cyanomethyl-(4-methylphenyl)sulfonylamino]methyl]-4-nitrobenzamide IUPAC Name: N-[[cyanomethyl-(4-methylphenyl)sulfonylamino]methyl]-4-nitrobenzamide Traditional Name: N-[[cyanomethyl(tosyl)amino]methyl]-4-nitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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