3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(4-tosylpiperazino)propan-1-one Formula: C19H25BrN4O3S MolecularWeight: 469.3958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O3S/c1-14-4-6-17(7-5-14)28(26,27)23-12-10-22(11-13-23)18(25)8-9-24-16(3)19(20)15(2)21-24/h4-7H,8-13H2,1-3H3