3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C24H25N3O5S2/c25-33(29,30)22-10-8-18(9-11-22)12-14-26-34(31,32)23-7-3-6-20(16-23)24(28)27-15-13-19-4-1-2-5-21(19)17-27/h1-11,16,26H,12-15,17H2,(H2,25,29,30)