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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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