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

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-butanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one Formula: C20H21N5O6S2 MolecularWeight: 491.54064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S2/c26-19(9-3-8-18-21-20(22-31-18)16-6-4-14-32-16)23-10-12-24(13-11-23)33(29,30)17-7-2-1-5-15(17)25(27)28/h1-2,4-7,14H,3,8-13H2