1-[5-bromanyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one

Systemtic Name: 1-[5-bromanyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[5-bromo-7-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]indolin-1-yl]propan-1-one CAS Name: 1-[5-bromo-7-[[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[5-bromo-7-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[5-bromo-7-[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]piperidino]sulfonyl-indolin-1-yl]propan-1-one Formula: C25H31BrN6O4S MolecularWeight: 591.52044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)Br

InChI

InChI=1S/C25H31BrN6O4S/c1-2-22(33)32-10-6-18-15-20(26)16-21(23(18)32)37(35,36)31-9-3-5-19(17-31)24(34)29-11-13-30(14-12-29)25-27-7-4-8-28-25/h4,7-8,15-16,19H,2-3,5-6,9-14,17H2,1H3