[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methyl-1-pyrimidin-4-yl-piperidin-4-yl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methyl-1-pyrimidin-4-yl-piperidin-4-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methyl-1-pyrimidin-4-yl-4-piperidyl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[4-methyl-1-(4-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-methyl-1-pyrimidin-4-ylpiperidin-4-yl)methanone Traditional Name: (4-brosylpiperazino)-[4-methyl-1-(4-pyrimidyl)-4-piperidyl]methanone Formula: C21H26BrN5O3S MolecularWeight: 508.43184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=NC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1(CCN(CC1)C2=NC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

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