5-[[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-3-carboxylate

Systemtic Name: 5-[[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-3-carboxylate Openeye Name: 5-[[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-3-carboxylate CAS Name: 5-[[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]sulfamoyl]-3-thiophenecarboxylate IUPAC Name: 5-[[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-3-carboxylate Traditional Name: 5-[[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]sulfamoyl]-3-thenoate Formula: C17H19N3O6S3 MolecularWeight: 457.54426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)[O-]

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=CS3)C(=O)[O-]

InChI

InChI=1S/C17H19N3O6S3/c21-17(22)12-9-16(27-11-12)29(25,26)19-13-5-4-6-14(10-13)28(23,24)20-15-7-2-1-3-8-18-15/h4-6,9-11,19H,1-3,7-8H2,(H,18,20)(H,21,22)