4-[[4-[5-[2-(4-aminophenyl)ethynyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[5-[2-(4-aminophenyl)ethynyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[5-[2-(4-aminophenyl)ethynyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[5-[2-(4-aminophenyl)ethynyl]-2-thiophenyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[5-[2-(4-aminophenyl)ethynyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[5-[2-(4-aminophenyl)ethynyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H17N5O2S2 MolecularWeight: 447.53268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C22H17N5O2S2/c23-16-4-1-15(2-5-16)3-8-18-9-12-21(30-18)20-13-14-25-22(27-20)26-17-6-10-19(11-7-17)31(24,28)29/h1-2,4-7,9-14H,23H2,(H2,24,28,29)(H,25,26,27)