2-chloranyl-5-[(3-ethanoyl-2-methyl-1-benzofuran-5-yl)azanidylsulfonyl]benzoate

Systemtic Name: 2-chloranyl-5-[(3-ethanoyl-2-methyl-1-benzofuran-5-yl)azanidylsulfonyl]benzoate Openeye Name: 5-(3-acetyl-2-methyl-benzofuran-5-yl)azanidylsulfonyl-2-chloro-benzoate CAS Name: 5-[(3-acetyl-2-methyl-5-benzofuranyl)azanidylsulfonyl]-2-chlorobenzoate IUPAC Name: 5-[(3-acetyl-2-methyl-1-benzofuran-5-yl)azanidylsulfonyl]-2-chlorobenzoate Traditional Name: 5-(3-acetyl-2-methyl-benzofuran-5-yl)azanidylsulfonyl-2-chloro-benzoate Formula: C18H12ClNO6S-2 MolecularWeight: 405.80898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])C(=O)C

InChI

InChI=1S/C18H13ClNO6S/c1-9(21)17-10(2)26-16-6-3-11(7-14(16)17)20-27(24,25)12-4-5-15(19)13(8-12)18(22)23/h3-8H,1-2H3,(H,22,23)/q-1/p-1