N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

Systemtic Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide Openeye Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-(3-pyridylmethyl)methanesulfonamide CAS Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-(3-pyridinylmethyl)methanesulfonamide IUPAC Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide Traditional Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-(3-pyridylmethyl)methanesulfonamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)N(CCC#N)CC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)N(CCC#N)CC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c17-8-4-10-19(12-14-5-3-9-18-11-14)25(23,24)13-15-6-1-2-7-16(15)20(21)22/h1-3,5-7,9,11H,4,10,12-13H2