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

Systemtic Name: 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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