(2S)-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propan-1-one CAS Name: (2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(1-phenyl-4-pyrazolyl)methylthio]-1-propanone IUPAC Name: (2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propan-1-one Traditional Name: (2S)-1-(4-besylpiperazino)-2-[(1-phenylpyrazol-4-yl)methylthio]propan-1-one Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S2/c1-19(31-18-20-16-24-27(17-20)21-8-4-2-5-9-21)23(28)25-12-14-26(15-13-25)32(29,30)22-10-6-3-7-11-22/h2-11,16-17,19H,12-15,18H2,1H3/t19-/m0/s1