2-[5-(2-azanylethylsulfonyl)-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[5-(2-azanylethylsulfonyl)-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid hydrochloride Openeye Name: 2-[5-(2-aminoethylsulfonyl)-2,3-dihydrobenzofuran-3-yl]acetic acid hydrochloride CAS Name: 2-[5-(2-aminoethylsulfonyl)-2,3-dihydrobenzofuran-3-yl]acetic acid hydrochloride IUPAC Name: 2-[5-(2-aminoethylsulfonyl)-2,3-dihydro-1-benzofuran-3-yl]acetic acid hydrochloride Traditional Name: 2-(5-taurylcoumaran-3-yl)acetic acid hydrochloride Formula: C12H16ClNO5S MolecularWeight: 321.77714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)S(=O)(=O)CCN)CC(=O)O.Cl

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)S(=O)(=O)CCN)CC(=O)O.Cl

InChI

InChI=1S/C12H15NO5S.ClH/c13-3-4-19(16,17)9-1-2-11-10(6-9)8(7-18-11)5-12(14)15;/h1-2,6,8H,3-5,7,13H2,(H,14,15);1H