N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]oxy-indole-2-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]oxy-indole-2-carboxamide Openeye Name: N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[[2-(4-methylpiperazin-1-yl)-4-pyridyl]oxy]indole-2-carboxamide CAS Name: N-(5-tert-butyl-2-methylsulfinylphenyl)-1-methyl-7-[[2-(4-methyl-1-piperazinyl)-4-pyridinyl]oxy]-2-indolecarboxamide IUPAC Name: N-(5-tert-butyl-2-methylsulfinylphenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]oxyindole-2-carboxamide Traditional Name: N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[[2-(4-methylpiperazino)-4-pyridyl]oxy]indole-2-carboxamide Formula: C31H37N5O3S MolecularWeight: 559.72218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)S(=O)C)NC(=O)C2=CC3=C(N2C)C(=CC=C3)OC4=CC(=NC=C4)N5CCN(CC5)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)S(=O)C)NC(=O)C2=CC3=C(N2C)C(=CC=C3)OC4=CC(=NC=C4)N5CCN(CC5)C

InChI

InChI=1S/C31H37N5O3S/c1-31(2,3)22-10-11-27(40(6)38)24(19-22)33-30(37)25-18-21-8-7-9-26(29(21)35(25)5)39-23-12-13-32-28(20-23)36-16-14-34(4)15-17-36/h7-13,18-20H,14-17H2,1-6H3,(H,33,37)