2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C17H23ClN4O3S2 MolecularWeight: 430.97252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C17H23ClN4O3S2/c1-4-14(22-13(3)16(18)12(2)19-22)17(23)20-7-9-21(10-8-20)27(24,25)15-6-5-11-26-15/h5-6,11,14H,4,7-10H2,1-3H3