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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-9-6-16(7-10-26)20(27)25-13-11-24(12-14-25)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2