N-[2-[1,1-dicyanoprop-1-en-2-yl(methyl)amino]ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[1,1-dicyanoprop-1-en-2-yl(methyl)amino]ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[(2,2-dicyano-1-methyl-vinyl)-methyl-amino]ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[1,1-dicyanoprop-1-en-2-yl(methyl)amino]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[1,1-dicyanoprop-1-en-2-yl(methyl)amino]ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[(2,2-dicyano-1-methyl-vinyl)-methyl-amino]ethyl]-4-nitro-benzenesulfonamide Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C#N)N(C)CCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=C(C#N)C#N)N(C)CCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S/c1-11(12(9-15)10-16)18(2)8-7-17-24(22,23)14-5-3-13(4-6-14)19(20)21/h3-6,17H,7-8H2,1-2H3