3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C24H31N7O3S MolecularWeight: 497.61304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H31N7O3S/c1-28-21-7-6-19(35(33,34)31-12-3-2-4-13-31)18-20(21)27-22(28)8-9-23(32)29-14-16-30(17-15-29)24-25-10-5-11-26-24/h5-7,10-11,18H,2-4,8-9,12-17H2,1H3