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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]butan-1-one Formula: C21H29BrN4O3S MolecularWeight: 497.44896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN4O3S/c1-14-6-7-19(12-15(14)2)30(28,29)25-10-8-24(9-11-25)20(27)13-16(3)26-18(5)21(22)17(4)23-26/h6-7,12,16H,8-11,13H2,1-5H3