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

Systemtic Name: [4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-bromo-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-bromo-3-(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=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Br

Isomeric SMILES

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

InChI

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