1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-(1,3,5-trimethyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H23BrN4O3S/c1-13-17(14(2)21(3)20-13)12-18(24)22-7-9-23(10-8-22)27(25,26)16-6-4-5-15(19)11-16/h4-6,11H,7-10,12H2,1-3H3