5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[(1R)-1-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c1-3-29-19-9-11-20(12-10-19)31(27,28)26-15-13-25(14-16-26)17(2)22-23-21(24-30-22)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3/p+1/t17-/m1/s1