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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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