1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-(1-phenylpyrazol-4-yl)ethanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-18-8-9-19(2)22(14-18)31(29,30)26-12-10-25(11-13-26)23(28)15-20-16-24-27(17-20)21-6-4-3-5-7-21/h3-9,14,16-17H,10-13,15H2,1-2H3