3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-sulfamoylphenyl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-sulfamoylphenyl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-sulfamoylphenyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-sulfamoylphenyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-sulfamoylphenyl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-sulfamoylphenyl)benzamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H21N3O5S2/c23-31(27,28)20-9-4-8-19(14-20)24-22(26)17-7-3-10-21(13-17)32(29,30)25-12-11-16-5-1-2-6-18(16)15-25/h1-10,13-14H,11-12,15H2,(H,24,26)(H2,23,27,28)