1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 3-(1-phenylpyrazol-4-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 3-(1-phenylpyrazol-4-yl)-1-(4-tosylpiperazino)propan-1-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-19-7-10-22(11-8-19)31(29,30)26-15-13-25(14-16-26)23(28)12-9-20-17-24-27(18-20)21-5-3-2-4-6-21/h2-8,10-11,17-18H,9,12-16H2,1H3