5-[2-azanyl-2-(4-chlorophenyl)sulfonyl-ethanoyl]-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: 5-[2-azanyl-2-(4-chlorophenyl)sulfonyl-ethanoyl]-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: 5-[2-amino-2-(4-chlorophenyl)sulfonyl-acetyl]-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 5-[2-amino-2-(4-chlorophenyl)sulfonyl-1-oxoethyl]-2,3-dihydrobenzofuran-2-carboxylate IUPAC Name: 5-[2-amino-2-(4-chlorophenyl)sulfonylacetyl]-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-[2-amino-2-(4-chlorophenyl)sulfonyl-acetyl]coumaran-2-carboxylate Formula: C17H13ClNO6S- MolecularWeight: 394.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C(=O)C(N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)C(=O)C(N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H14ClNO6S/c18-11-2-4-12(5-3-11)26(23,24)16(19)15(20)9-1-6-13-10(7-9)8-14(25-13)17(21)22/h1-7,14,16H,8,19H2,(H,21,22)/p-1