N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-6-[2-oxidanylidene-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium

Systemtic Name: N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-6-[2-oxidanylidene-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium Openeye Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-6-[2-oxo-2-(3-thienylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium CAS Name: N-(4-chloro-3-methyl-5-isoxazolyl)-6-[2-oxo-2-(3-thiophenylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium IUPAC Name: N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-6-[2-oxo-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium Traditional Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-6-[2-keto-2-(3-thienylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium Formula: C18H13ClN3O6S2+ MolecularWeight: 466.89532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)[N+]#CC2=CC3=C(C=C2CC(=O)NS(=O)(=O)C4=CSC=C4)OCO3

Isomeric SMILES

CC1=NOC(=C1Cl)[N+]#CC2=CC3=C(C=C2CC(=O)NS(=O)(=O)C4=CSC=C4)OCO3

InChI

InChI=1S/C18H12ClN3O6S2/c1-10-17(19)18(28-21-10)20-7-12-5-15-14(26-9-27-15)4-11(12)6-16(23)22-30(24,25)13-2-3-29-8-13/h2-5,8H,6,9H2,1H3/p+1