3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[(4-mesyl-1,4-diazepan-1-ium-1-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C13H19N4O4S2+ MolecularWeight: 359.44436

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CN2C(=O)OC(=N2)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CN2C(=O)OC(=N2)C3=CC=CS3

InChI

InChI=1S/C13H18N4O4S2/c1-23(19,20)16-6-3-5-15(7-8-16)10-17-13(18)21-12(14-17)11-4-2-9-22-11/h2,4,9H,3,5-8,10H2,1H3/p+1