2-(3-methylphenyl)-5-[(1S)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3-methylphenyl)-5-[(1S)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Openeye Name: 2-(m-tolyl)-5-[(1S)-1-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]-1,3,4-oxadiazole CAS Name: 2-(3-methylphenyl)-5-[(1S)-1-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]-1,3,4-oxadiazole IUPAC Name: 2-(3-methylphenyl)-5-[(1S)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Traditional Name: 2-(m-tolyl)-5-[(1S)-1-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]-1,3,4-oxadiazole Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)[C@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O3S2/c1-14-5-3-6-16(13-14)19-21-20-18(26-19)15(2)22-8-10-23(11-9-22)28(24,25)17-7-4-12-27-17/h3-7,12-13,15H,8-11H2,1-2H3/p+1/t15-/m0/s1