N-(5-nitro-1,3-benzothiazol-2-yl)-4-[(3-piperazin-1-ylcarbonylpyridin-2-yl)amino]benzenesulfonamide

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-4-[(3-piperazin-1-ylcarbonylpyridin-2-yl)amino]benzenesulfonamide Openeye Name: N-(5-nitro-1,3-benzothiazol-2-yl)-4-[[3-(piperazine-1-carbonyl)-2-pyridyl]amino]benzenesulfonamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-4-[[3-[oxo(1-piperazinyl)methyl]-2-pyridinyl]amino]benzenesulfonamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-4-[[3-(piperazine-1-carbonyl)pyridin-2-yl]amino]benzenesulfonamide Traditional Name: N-(5-nitro-1,3-benzothiazol-2-yl)-4-[[3-(piperazine-1-carbonyl)-2-pyridyl]amino]benzenesulfonamide Formula: C23H21N7O5S2 MolecularWeight: 539.58674

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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(S4)C=CC(=C5)[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(S4)C=CC(=C5)[N+](=O)[O-]

InChI

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