4-azanyl-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide

Systemtic Name: 4-azanyl-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Openeye Name: 4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide CAS Name: 4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide IUPAC Name: 4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Traditional Name: 4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H17N3O2S/c13-10-5-7-11(8-6-10)18(16,17)15-12-4-2-1-3-9-14-12/h5-8H,1-4,9,13H2,(H,14,15)/p+1