3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C17H23BrN4O3S2 MolecularWeight: 475.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)Br

InChI

InChI=1S/C17H23BrN4O3S2/c1-12(11-22-14(3)16(18)13(2)19-22)17(23)20-6-8-21(9-7-20)27(24,25)15-5-4-10-26-15/h4-5,10,12H,6-9,11H2,1-3H3