N-[2-[1-methyl-4-[[3-(2-methylbutan-2-ylamino)pyridin-2-yl]amino]piperidin-2-yl]carbonyl-1H-indol-5-yl]methanesulfonamide

Systemtic Name: N-[2-[1-methyl-4-[[3-(2-methylbutan-2-ylamino)pyridin-2-yl]amino]piperidin-2-yl]carbonyl-1H-indol-5-yl]methanesulfonamide Openeye Name: N-[2-[4-[[3-(1,1-dimethylpropylamino)-2-pyridyl]amino]-1-methyl-piperidine-2-carbonyl]-1H-indol-5-yl]methanesulfonamide CAS Name: N-[2-[[1-methyl-4-[[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]-2-piperidinyl]-oxomethyl]-1H-indol-5-yl]methanesulfonamide IUPAC Name: N-[2-[1-methyl-4-[[3-(2-methylbutan-2-ylamino)pyridin-2-yl]amino]piperidine-2-carbonyl]-1H-indol-5-yl]methanesulfonamide Traditional Name: N-[2-[4-[[3-(tert-amylamino)-2-pyridyl]amino]-1-methyl-pipecoloyl]-1H-indol-5-yl]methanesulfonamide Formula: C26H36N6O3S MolecularWeight: 512.66744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(N=CC=C1)NC2CCN(C(C2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C)C

Isomeric SMILES

CCC(C)(C)NC1=C(N=CC=C1)NC2CCN(C(C2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C)C

InChI

InChI=1S/C26H36N6O3S/c1-6-26(2,3)30-21-8-7-12-27-25(21)28-18-11-13-32(4)23(16-18)24(33)22-15-17-14-19(31-36(5,34)35)9-10-20(17)29-22/h7-10,12,14-15,18,23,29-31H,6,11,13,16H2,1-5H3,(H,27,28)