(2S)-2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(1-methyl-2-imidazolyl)thio]-1-propanone IUPAC Name: (2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(4-besylpiperazino)-2-[(1-methylimidazol-2-yl)thio]propan-1-one Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SC3=NC=CN3C

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SC3=NC=CN3C

InChI

InChI=1S/C17H22N4O3S2/c1-14(25-17-18-8-9-19(17)2)16(22)20-10-12-21(13-11-20)26(23,24)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3/t14-/m0/s1