2-(4-fluorophenyl)sulfonyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H20FN3O5S2 MolecularWeight: 489.539703

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H20FN3O5S2/c23-17-5-9-20(10-6-17)33(30,31)26-14-16-4-2-1-3-15(16)13-21(26)22(27)25-18-7-11-19(12-8-18)32(24,28)29/h1-12,21H,13-14H2,(H,25,27)(H2,24,28,29)