2-(4-chloranylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chloranylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-(4-chloropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-1-pyrazolyl)-1-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chloropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-(4-chloropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]butan-1-one Formula: C15H21ClN6O3S MolecularWeight: 400.88364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2)C)N3C=C(C=N3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2)C)N3C=C(C=N3)Cl

InChI

InChI=1S/C15H21ClN6O3S/c1-3-14(22-10-12(16)8-18-22)15(23)20-4-6-21(7-5-20)26(24,25)13-9-17-19(2)11-13/h8-11,14H,3-7H2,1-2H3