3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-19-23(20(2)28(25-19)21-9-5-3-6-10-21)13-14-24(29)26-15-17-27(18-16-26)32(30,31)22-11-7-4-8-12-22/h3-12H,13-18H2,1-2H3