[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-yl-piperidin-4-yl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-yl-piperidin-4-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[4-isopropenyl-1-(2-methylpyrimidin-4-yl)-4-piperidyl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[4-(1-methylethenyl)-1-(2-methyl-4-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[1-(2-methylpyrimidin-4-yl)-4-prop-1-en-2-ylpiperidin-4-yl]methanone Traditional Name: (4-brosylpiperazino)-[4-isopropenyl-1-(2-methylpyrimidin-4-yl)-4-piperidyl]methanone Formula: C24H30BrN5O3S MolecularWeight: 548.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCC(CC2)(C(=C)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC=CC(=N1)N2CCC(CC2)(C(=C)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H30BrN5O3S/c1-18(2)24(9-12-28(13-10-24)22-8-11-26-19(3)27-22)23(31)29-14-16-30(17-15-29)34(32,33)21-6-4-20(25)5-7-21/h4-8,11H,1,9-10,12-17H2,2-3H3