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

Systemtic Name: [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(2-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(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=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

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

InChI

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