[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(2-methylpiperidino)sulfonylphenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c1-17-6-2-3-11-26(17)30(28,29)19-8-4-7-18(16-19)20(27)24-12-14-25(15-13-24)21-22-9-5-10-23-21/h4-5,7-10,16-17H,2-3,6,11-15H2,1H3