N,N-dimethyl-1-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzoxazole-7-sulfonamide

Systemtic Name: N,N-dimethyl-1-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzoxazole-7-sulfonamide Openeye Name: N,N-dimethyl-1-(4-morpholino-4-oxo-butyl)sulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzoxazole-7-sulfonamide CAS Name: N,N-dimethyl-1-[[4-(4-morpholinyl)-4-oxobutyl]thio]-[1,2,4]triazolo[3,4-b][1,3]benzoxazole-7-sulfonamide IUPAC Name: N,N-dimethyl-1-(4-morpholin-4-yl-4-oxobutyl)sulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzoxazole-7-sulfonamide Traditional Name: 1-[(4-keto-4-morpholino-butyl)thio]-N,N-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzoxazole-7-sulfonamide Formula: C18H23N5O5S2 MolecularWeight: 453.53572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC3=NN=C(N23)SCCCC(=O)N4CCOCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC3=NN=C(N23)SCCCC(=O)N4CCOCC4

InChI

InChI=1S/C18H23N5O5S2/c1-21(2)30(25,26)13-5-6-15-14(12-13)23-17(28-15)19-20-18(23)29-11-3-4-16(24)22-7-9-27-10-8-22/h5-6,12H,3-4,7-11H2,1-2H3