[3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-bromo-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-bromo-5-(4-methylpiperidino)sulfonyl-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H26BrN5O3S MolecularWeight: 508.43184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Br

InChI

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