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

Systemtic Name: 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1-propanoylindolin-5-yl)sulfonyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1-propionylindolin-5-yl)sulfonyl-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O4S/c1-2-20(28)27-10-6-17-16-18(4-5-19(17)27)32(30,31)15-7-21(29)25-11-13-26(14-12-25)22-23-8-3-9-24-22/h3-5,8-9,16H,2,6-7,10-15H2,1H3