5-[(3S)-1-ethylsulfonylpiperidin-3-yl]-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-oxadiazole

Systemtic Name: 5-[(3S)-1-ethylsulfonylpiperidin-3-yl]-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-oxadiazole Openeye Name: 5-[(3S)-1-ethylsulfonyl-3-piperidyl]-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-oxadiazole CAS Name: 5-[(3S)-1-ethylsulfonyl-3-piperidinyl]-3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1,2,4-oxadiazole IUPAC Name: 5-[(3S)-1-ethylsulfonylpiperidin-3-yl]-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-oxadiazole Traditional Name: 5-[(3S)-1-esyl-3-piperidyl]-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-oxadiazole Formula: C20H30N5O5S2+ MolecularWeight: 484.6127

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCS(=O)(=O)N1CCC[C@@H](C1)C2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H29N5O5S2/c1-3-31(26,27)25-10-4-5-17(15-25)20-21-19(22-30-20)16-6-8-18(9-7-16)32(28,29)24-13-11-23(2)12-14-24/h6-9,17H,3-5,10-15H2,1-2H3/p+1/t17-/m0/s1