N-(4-nitro-1,3-benzothiazol-2-yl)-4-[(3-piperazin-1-ylcarbonylpyridin-2-yl)amino]benzenesulfonamide

Systemtic Name: N-(4-nitro-1,3-benzothiazol-2-yl)-4-[(3-piperazin-1-ylcarbonylpyridin-2-yl)amino]benzenesulfonamide Openeye Name: N-(4-nitro-1,3-benzothiazol-2-yl)-4-[[3-(piperazine-1-carbonyl)-2-pyridyl]amino]benzenesulfonamide CAS Name: N-(4-nitro-1,3-benzothiazol-2-yl)-4-[[3-[oxo(1-piperazinyl)methyl]-2-pyridinyl]amino]benzenesulfonamide IUPAC Name: N-(4-nitro-1,3-benzothiazol-2-yl)-4-[[3-(piperazine-1-carbonyl)pyridin-2-yl]amino]benzenesulfonamide Traditional Name: N-(4-nitro-1,3-benzothiazol-2-yl)-4-[[3-(piperazine-1-carbonyl)-2-pyridyl]amino]benzenesulfonamide Formula: C23H21N7O5S2 MolecularWeight: 539.58674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=C(C=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=C(C=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O5S2/c31-22(29-13-11-24-12-14-29)17-3-2-10-25-21(17)26-15-6-8-16(9-7-15)37(34,35)28-23-27-20-18(30(32)33)4-1-5-19(20)36-23/h1-10,24H,11-14H2,(H,25,26)(H,27,28)