5-[2-azanyl-2-(4-methoxyphenyl)sulfonyl-ethanoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-azanyl-2-(4-methoxyphenyl)sulfonyl-ethanoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-amino-2-(4-methoxyphenyl)sulfonyl-acetyl]-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-[2-amino-2-(4-methoxyphenyl)sulfonyl-1-oxoethyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-[2-amino-2-(4-methoxyphenyl)sulfonylacetyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-amino-2-(4-methoxyphenyl)sulfonyl-acetyl]coumaran-2-carboxylic acid Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C2=CC3=C(C=C2)OC(C3)C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C2=CC3=C(C=C2)OC(C3)C(=O)O)N

InChI

InChI=1S/C18H17NO7S/c1-25-12-3-5-13(6-4-12)27(23,24)17(19)16(20)10-2-7-14-11(8-10)9-15(26-14)18(21)22/h2-8,15,17H,9,19H2,1H3,(H,21,22)