5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyridin-2-amine

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyridin-2-amine Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentyl]pyridin-2-amine CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-2-pyridinamine IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]pyridin-2-amine Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentyl]amine Formula: C21H29N6O3S2+ MolecularWeight: 477.62336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCCCCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCCCCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H28N6O3S2/c1-26-11-13-27(14-12-26)32(28,29)17-8-9-19(23-16-17)22-10-4-2-3-7-20-24-21(25-30-20)18-6-5-15-31-18/h5-6,8-9,15-16H,2-4,7,10-14H2,1H3,(H,22,23)/p+1