N-(2-cyanoethyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C20H21N5O5S MolecularWeight: 443.47624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C20H21N5O5S/c21-10-1-11-22-31(29,30)19-8-2-16(3-9-19)20(26)24-14-12-23(13-15-24)17-4-6-18(7-5-17)25(27)28/h2-9,22H,1,11-15H2