4-(4-bromophenyl)sulfonyl-1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]piperazin-2-one

Systemtic Name: 4-(4-bromophenyl)sulfonyl-1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]piperazin-2-one Openeye Name: 4-(4-bromophenyl)sulfonyl-1-[[1-(2-methylpyrimidin-4-yl)-4-piperidyl]methyl]piperazin-2-one CAS Name: 4-(4-bromophenyl)sulfonyl-1-[[1-(2-methyl-4-pyrimidinyl)-4-piperidinyl]methyl]-2-piperazinone IUPAC Name: 4-(4-bromophenyl)sulfonyl-1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]piperazin-2-one Traditional Name: 4-brosyl-1-[[1-(2-methylpyrimidin-4-yl)-4-piperidyl]methyl]piperazin-2-one Formula: C21H26BrN5O3S MolecularWeight: 508.43184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCC(CC2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC=CC(=N1)N2CCC(CC2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H26BrN5O3S/c1-16-23-9-6-20(24-16)25-10-7-17(8-11-25)14-26-12-13-27(15-21(26)28)31(29,30)19-4-2-18(22)3-5-19/h2-6,9,17H,7-8,10-15H2,1H3