1-[4-(phenylsulfonyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O4S2/c24-18(7-6-17-20-19(21-27-17)15-8-13-28-14-15)22-9-11-23(12-10-22)29(25,26)16-4-2-1-3-5-16/h1-5,8,13-14H,6-7,9-12H2