N-(5,6-dimethoxypyrimidin-4-yl)-4-[[2-oxidanylidene-1-(piperazin-1-ylmethyl)indol-3-ylidene]amino]benzenesulfonamide

Systemtic Name: N-(5,6-dimethoxypyrimidin-4-yl)-4-[[2-oxidanylidene-1-(piperazin-1-ylmethyl)indol-3-ylidene]amino]benzenesulfonamide Openeye Name: N-(5,6-dimethoxypyrimidin-4-yl)-4-[[2-oxo-1-(piperazin-1-ylmethyl)indolin-3-ylidene]amino]benzenesulfonamide CAS Name: N-(5,6-dimethoxy-4-pyrimidinyl)-4-[[2-oxo-1-(1-piperazinylmethyl)-3-indolylidene]amino]benzenesulfonamide IUPAC Name: N-(5,6-dimethoxypyrimidin-4-yl)-4-[[2-oxo-1-(piperazin-1-ylmethyl)indol-3-ylidene]amino]benzenesulfonamide Traditional Name: N-(5,6-dimethoxypyrimidin-4-yl)-4-[[2-keto-1-(piperazinomethyl)indolin-3-ylidene]amino]benzenesulfonamide Formula: C25H27N7O5S MolecularWeight: 537.59078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C3=O)CN5CCNCC5

Isomeric SMILES

COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C3=O)CN5CCNCC5

InChI

InChI=1S/C25H27N7O5S/c1-36-22-23(27-15-28-24(22)37-2)30-38(34,35)18-9-7-17(8-10-18)29-21-19-5-3-4-6-20(19)32(25(21)33)16-31-13-11-26-12-14-31/h3-10,15,26H,11-14,16H2,1-2H3,(H,27,28,30)