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

Systemtic Name: N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-6-methyl-5-[2-oxidanylidene-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium Openeye Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-6-methyl-5-[2-oxo-2-(3-thienylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium CAS Name: N-(4-chloro-3-methyl-5-isoxazolyl)-6-methyl-5-[2-oxo-2-(3-thiophenylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium IUPAC Name: N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-6-methyl-5-[2-oxo-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium Traditional Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-5-[2-keto-2-(3-thienylsulfonylamino)ethyl]-6-methyl-1,3-benzodioxole-4-carbonitrilium Formula: C19H15ClN3O6S2+ MolecularWeight: 480.9219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1CC(=O)NS(=O)(=O)C3=CSC=C3)C#[N+]C4=C(C(=NO4)C)Cl)OCO2

Isomeric SMILES

CC1=CC2=C(C(=C1CC(=O)NS(=O)(=O)C3=CSC=C3)C#[N+]C4=C(C(=NO4)C)Cl)OCO2

InChI

InChI=1S/C19H14ClN3O6S2/c1-10-5-15-18(28-9-27-15)14(7-21-19-17(20)11(2)22-29-19)13(10)6-16(24)23-31(25,26)12-3-4-30-8-12/h3-5,8H,6,9H2,1-2H3/p+1