4-[5-tert-butyl-3-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbonylamino]carbamoyl]pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-tert-butyl-3-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbonylamino]carbamoyl]pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-tert-butyl-3-[[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoyl]amino]carbamoyl]pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-tert-butyl-3-[[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-oxomethyl]hydrazo]-oxomethyl]-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-tert-butyl-3-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl]amino]carbamoyl]pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-tert-butyl-3-[[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoyl]amino]carbamoyl]pyrazol-1-yl]benzenesulfonamide Formula: C31H31N9O4S MolecularWeight: 625.70074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=NN(C(=C2)C(C)(C)C)C3=CC=C(C=C3)S(=O)(=O)N)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=NN(C(=C2)C(C)(C)C)C3=CC=C(C=C3)S(=O)(=O)N)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C31H31N9O4S/c1-19-7-8-20(16-25(19)36-30-34-15-13-24(35-30)21-6-5-14-33-18-21)28(41)37-38-29(42)26-17-27(31(2,3)4)40(39-26)22-9-11-23(12-10-22)45(32,43)44/h5-18H,1-4H3,(H,37,41)(H,38,42)(H2,32,43,44)(H,34,35,36)