N-[(4-cyano-2-nitro-phenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide

Systemtic Name: N-[(4-cyano-2-nitro-phenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide Openeye Name: N-[(4-cyano-2-nitro-phenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide CAS Name: N-[(4-cyano-2-nitrophenyl)methyl]-N-(5-pyrimidinylmethyl)benzenesulfonamide IUPAC Name: N-[(4-cyano-2-nitrophenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide Traditional Name: N-(4-cyano-2-nitro-benzyl)-N-(5-pyrimidylmethyl)benzenesulfonamide Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CN=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CN=CN=C3

InChI

InChI=1S/C19H15N5O4S/c20-9-15-6-7-17(19(8-15)24(25)26)13-23(12-16-10-21-14-22-11-16)29(27,28)18-4-2-1-3-5-18/h1-8,10-11,14H,12-13H2