5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-benzoic acid

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-benzoic acid Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-benzoic acid CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C17H17NO5S/c1-23-16-7-6-14(10-15(16)17(19)20)24(21,22)18-9-8-12-4-2-3-5-13(12)11-18/h2-7,10H,8-9,11H2,1H3,(H,19,20)