sodium (4-chloranyl-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethanoyl]thiophen-3-yl]sulfonyl-azanide

Systemtic Name: sodium (4-chloranyl-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethanoyl]thiophen-3-yl]sulfonyl-azanide Openeye Name: sodium (4-chloro-3-methyl-isoxazol-5-yl)-[[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thienyl]sulfonyl]azanide CAS Name: sodium (4-chloro-3-methyl-5-isoxazolyl)-[[2-[2-(6-methyl-1,3-benzodioxol-5-yl)-1-oxoethyl]-3-thiophenyl]sulfonyl]azanide IUPAC Name: sodium (4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide Traditional Name: sodium (4-chloro-3-methyl-isoxazol-5-yl)-[[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thienyl]sulfonyl]azanide Formula: C18H14ClN2NaO6S2 MolecularWeight: 480.856949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-]C4=C(C(=NO4)C)Cl)OCO2.[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-][13C]4=[13C]([13C](=NO4)[13CH3])Cl)OCO2.[Na+]

InChI

InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1/i2+1,10+1,16+1,18+1;