1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Traditional Name: 1-(4-tosylpiperazino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)C)C

InChI

InChI=1S/C20H28N4O3S/c1-15-5-7-18(8-6-15)28(26,27)24-13-11-23(12-14-24)20(25)10-9-19-16(2)21-22(4)17(19)3/h5-8H,9-14H2,1-4H3