3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-1-(4-mesitylsulfonylpiperazino)propan-1-one Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC(=N3)C)C)C

InChI

InChI=1S/C21H30N4O3S/c1-15-12-16(2)21(17(3)13-15)29(27,28)24-10-8-23(9-11-24)20(26)6-7-25-19(5)14-18(4)22-25/h12-14H,6-11H2,1-5H3