1-[4-[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[5-(5-methyl-2-thienyl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[5-(5-methyl-2-thiophenyl)-1H-pyrazol-3-yl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[5-(5-methyl-2-thienyl)-1H-pyrazole-3-carbonyl]piperazino]sulfonylphenyl]ethanone Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C21H22N4O4S2/c1-14-3-8-20(30-14)18-13-19(23-22-18)21(27)24-9-11-25(12-10-24)31(28,29)17-6-4-16(5-7-17)15(2)26/h3-8,13H,9-12H2,1-2H3,(H,22,23)