N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide

Systemtic Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide Openeye Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide CAS Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-2-furancarboxamide IUPAC Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide Traditional Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-2-furamide Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H19N3O4S/c21-17(15-5-4-12-24-15)19-13-7-9-14(10-8-13)25(22,23)20-16-6-2-1-3-11-18-16/h4-5,7-10,12H,1-3,6,11H2,(H,18,20)(H,19,21)/p+1