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

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoate IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-benzoate Formula: C17H16NO5S- MolecularWeight: 346.37764

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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)/p-1