3-(1-azanylethyl)-N,N-bis(cyanomethyl)benzenesulfonamide

Systemtic Name: 3-(1-azanylethyl)-N,N-bis(cyanomethyl)benzenesulfonamide Openeye Name: 3-(1-aminoethyl)-N,N-bis(cyanomethyl)benzenesulfonamide CAS Name: 3-(1-aminoethyl)-N,N-bis(cyanomethyl)benzenesulfonamide IUPAC Name: 3-(1-aminoethyl)-N,N-bis(cyanomethyl)benzenesulfonamide Traditional Name: 3-(1-aminoethyl)-N,N-bis(cyanomethyl)benzenesulfonamide Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)S(=O)(=O)N(CC#N)CC#N)N

Isomeric SMILES

CC(C1=CC(=CC=C1)S(=O)(=O)N(CC#N)CC#N)N

InChI

InChI=1S/C12H14N4O2S/c1-10(15)11-3-2-4-12(9-11)19(17,18)16(7-5-13)8-6-14/h2-4,9-10H,7-8,15H2,1H3