5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-benzofuran-2-carboxylate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-coumarilate Formula: C19H16NO5S- MolecularWeight: 370.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)[O-]

InChI

InChI=1S/C19H17NO5S/c1-12-16-10-15(6-7-17(16)25-18(12)19(21)22)26(23,24)20-9-8-13-4-2-3-5-14(13)11-20/h2-7,10H,8-9,11H2,1H3,(H,21,22)/p-1