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

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O4S2/c25-19(9-8-18-21-20(22-28-18)17-7-4-14-29-17)23-10-12-24(13-11-23)30(26,27)15-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2