[1-(4-bromophenyl)sulfonylpiperidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-bromophenyl)sulfonylpiperidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-bromophenyl)sulfonyl-2-piperidyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-bromophenyl)sulfonyl-2-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-bromophenyl)sulfonylpiperidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-brosyl-2-piperidyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H24BrN5O3S MolecularWeight: 494.40526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H24BrN5O3S/c21-16-5-7-17(8-6-16)30(28,29)26-11-2-1-4-18(26)19(27)24-12-14-25(15-13-24)20-22-9-3-10-23-20/h3,5-10,18H,1-2,4,11-15H2