5-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]coumaran-2-carboxylic acid Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C1=CC2=C(C=C1)OC(C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CC(=O)C1=CC2=C(C=C1)OC(C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO6S/c1-20(27(24,25)14-5-3-13(19)4-6-14)10-15(21)11-2-7-16-12(8-11)9-17(26-16)18(22)23/h2-8,17H,9-10H2,1H3,(H,22,23)