(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-methyl-5-(1-piperidylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-methyl-5-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-piperidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-methyl-5-piperidinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c1-17-6-7-18(30(28,29)26-10-3-2-4-11-26)16-19(17)20(27)24-12-14-25(15-13-24)21-22-8-5-9-23-21/h5-9,16H,2-4,10-15H2,1H3