2-(1,3-benzodioxol-5-yl)-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-N'-oxidanyl-N-thiophen-3-ylsulfonyl-ethanimidamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-N'-oxidanyl-N-thiophen-3-ylsulfonyl-ethanimidamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-methyl-isoxazol-5-yl)-N'-hydroxy-N-(3-thienylsulfonyl)acetamidine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-methyl-5-isoxazolyl)-N'-hydroxy-N-(3-thiophenylsulfonyl)ethanimidamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N'-hydroxy-N-thiophen-3-ylsulfonylethanimidamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-methyl-isoxazol-5-yl)-N'-hydroxy-N-(3-thienylsulfonyl)acetamidine Formula: C17H14ClN3O6S2 MolecularWeight: 455.89256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)N(C(=NO)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CSC=C4

Isomeric SMILES

CC1=NOC(=C1Cl)N(/C(=N/O)/CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CSC=C4

InChI

InChI=1S/C17H14ClN3O6S2/c1-10-16(18)17(27-20-10)21(29(23,24)12-4-5-28-8-12)15(19-22)7-11-2-3-13-14(6-11)26-9-25-13/h2-6,8,22H,7,9H2,1H3/b19-15+