N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-1-methyl-7-[2-(piperidin-4-ylamino)pyrimidin-4-yl]oxy-indole-2-carboxamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-1-methyl-7-[2-(piperidin-4-ylamino)pyrimidin-4-yl]oxy-indole-2-carboxamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-1-methyl-7-[2-(4-piperidylamino)pyrimidin-4-yl]oxy-indole-2-carboxamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[2-(4-piperidinylamino)-4-pyrimidinyl]oxy]-2-indolecarboxamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[2-(piperidin-4-ylamino)pyrimidin-4-yl]oxyindole-2-carboxamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-1-methyl-7-[2-(4-piperidylamino)pyrimidin-4-yl]oxy-indole-2-carboxamide Formula: C31H39N7O5S MolecularWeight: 621.75026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C2=CC3=C(N2C)C(=CC=C3)OC4=NC(=NC=C4)NC5CCNCC5

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C2=CC3=C(N2C)C(=CC=C3)OC4=NC(=NC=C4)NC5CCNCC5

InChI

InChI=1S/C31H39N7O5S/c1-31(2,3)20-17-22(28(42-5)23(18-20)37-44(6,40)41)35-29(39)24-16-19-8-7-9-25(27(19)38(24)4)43-26-12-15-33-30(36-26)34-21-10-13-32-14-11-21/h7-9,12,15-18,21,32,37H,10-11,13-14H2,1-6H3,(H,35,39)(H,33,34,36)