N-[6-[4-[[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]carbamoylamino]phenoxy]pyrimidin-4-yl]-2-methoxy-ethanamide

Systemtic Name: N-[6-[4-[[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]carbamoylamino]phenoxy]pyrimidin-4-yl]-2-methoxy-ethanamide Openeye Name: N-[6-[4-[[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]carbamoylamino]phenoxy]pyrimidin-4-yl]-2-methoxy-acetamide CAS Name: N-[6-[4-[[[[5-tert-butyl-2-(4-methylsulfonylphenyl)-3-pyrazolyl]amino]-oxomethyl]amino]phenoxy]-4-pyrimidinyl]-2-methoxyacetamide IUPAC Name: N-[6-[4-[[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]carbamoylamino]phenoxy]pyrimidin-4-yl]-2-methoxyacetamide Traditional Name: N-[6-[4-[[5-tert-butyl-2-(4-mesylphenyl)pyrazol-3-yl]carbamoylamino]phenoxy]pyrimidin-4-yl]-2-methoxy-acetamide Formula: C28H31N7O6S MolecularWeight: 593.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=NC=NC(=C3)NC(=O)COC)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=NC=NC(=C3)NC(=O)COC)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H31N7O6S/c1-28(2,3)22-14-24(35(34-22)19-8-12-21(13-9-19)42(5,38)39)33-27(37)31-18-6-10-20(11-7-18)41-26-15-23(29-17-30-26)32-25(36)16-40-4/h6-15,17H,16H2,1-5H3,(H2,31,33,37)(H,29,30,32,36)