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

Systemtic Name: 3-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(5-bromo-1-propanoyl-indolin-7-yl)sulfonyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[[5-bromo-1-(1-oxopropyl)-2,3-dihydroindol-7-yl]sulfonyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(5-bromo-1-propionyl-indolin-7-yl)sulfonyl-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C22H26BrN5O4S MolecularWeight: 536.44194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4)Br

InChI

InChI=1S/C22H26BrN5O4S/c1-2-19(29)28-8-4-16-14-17(23)15-18(21(16)28)33(31,32)13-5-20(30)26-9-11-27(12-10-26)22-24-6-3-7-25-22/h3,6-7,14-15H,2,4-5,8-13H2,1H3