6,7-diethoxy-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-diethoxy-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-diethoxy-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-diethoxy-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-diethoxy-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-diethoxy-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)OCC

InChI

InChI=1S/C20H25N3O5S/c1-3-27-18-11-14-9-10-23(13-15(14)12-19(18)28-4-2)20(24)22-16-5-7-17(8-6-16)29(21,25)26/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,24)(H2,21,25,26)