4-[[4-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[5-[2-(2-pyridyl)ethynyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[5-[2-(2-pyridinyl)ethynyl]-2-thiophenyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[5-[2-(2-pyridyl)ethynyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H15N5O2S2 MolecularWeight: 433.5061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O2S2/c22-30(27,28)18-9-5-16(6-10-18)25-21-24-14-12-19(26-21)20-11-8-17(29-20)7-4-15-3-1-2-13-23-15/h1-3,5-6,8-14H,(H2,22,27,28)(H,24,25,26)