3-(4-bromanylpyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-bromopyrazol-1-yl)-2-methyl-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-1-pyrazolyl)-2-methyl-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(4-bromopyrazol-1-yl)-2-methyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-bromopyrazol-1-yl)-2-methyl-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C15H19BrN4O3S2 MolecularWeight: 447.37036

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(CN1C=C(C=N1)Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H19BrN4O3S2/c1-12(10-19-11-13(16)9-17-19)15(21)18-4-6-20(7-5-18)25(22,23)14-3-2-8-24-14/h2-3,8-9,11-12H,4-7,10H2,1H3