[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[1-(2-methyl-4H-pyrimidin-3-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[1-(2-methyl-4H-pyrimidin-3-yl)piperidin-4-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[1-(2-methyl-4H-pyrimidin-3-yl)-4-piperidyl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[1-(2-methyl-4H-pyrimidin-3-yl)-4-piperidinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[1-(2-methyl-4H-pyrimidin-3-yl)piperidin-4-yl]methanone Traditional Name: (4-brosylpiperazino)-[1-(2-methyl-4H-pyrimidin-3-yl)-4-piperidyl]methanone Formula: C21H28BrN5O3S MolecularWeight: 510.44772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CCN1N2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC=CCN1N2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H28BrN5O3S/c1-17-23-9-2-10-27(17)25-11-7-18(8-12-25)21(28)24-13-15-26(16-14-24)31(29,30)20-5-3-19(22)4-6-20/h2-6,9,18H,7-8,10-16H2,1H3