N,N-bis(2-cyanoethyl)-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-bis(2-cyanoethyl)-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-bis(2-cyanoethyl)-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-bis(2-cyanoethyl)-4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-bis(2-cyanoethyl)-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-bis(2-cyanoethyl)-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C24H23N7O5S2 MolecularWeight: 553.61332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C24H23N7O5S2/c25-9-1-11-30(12-2-10-26)38(35,36)20-6-3-18(4-7-20)23(32)28-13-15-29(16-14-28)24-27-21-8-5-19(31(33)34)17-22(21)37-24/h3-8,17H,1-2,11-16H2