3-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H21N3O6S2/c23-19(24)14-6-4-8-16(12-14)29(25,26)21-15-7-5-9-17(13-15)30(27,28)22-18-10-2-1-3-11-20-18/h4-9,12-13,21H,1-3,10-11H2,(H,20,22)(H,23,24)