3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(4-tosylpiperazino)butan-1-one Formula: C20H27BrN4O3S MolecularWeight: 483.42238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H27BrN4O3S/c1-14-5-7-18(8-6-14)29(27,28)24-11-9-23(10-12-24)19(26)13-15(2)25-17(4)20(21)16(3)22-25/h5-8,15H,9-13H2,1-4H3