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

Systemtic Name: [1-(4-bromophenyl)sulfonyl-4-methyl-piperidin-4-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [1-(4-bromophenyl)sulfonyl-4-methyl-4-piperidyl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [1-(4-bromophenyl)sulfonyl-4-methyl-4-piperidinyl]-[4-(2-methyl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-bromophenyl)sulfonyl-4-methylpiperidin-4-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (1-brosyl-4-methyl-4-piperidyl)-[4-(2-methylpyrimidin-4-yl)piperazino]methanone Formula: C22H28BrN5O3S MolecularWeight: 522.45842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCN(CC2)C(=O)C3(CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=NC=CC(=N1)N2CCN(CC2)C(=O)C3(CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H28BrN5O3S/c1-17-24-10-7-20(25-17)26-13-15-27(16-14-26)21(29)22(2)8-11-28(12-9-22)32(30,31)19-5-3-18(23)4-6-19/h3-7,10H,8-9,11-16H2,1-2H3