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

Systemtic Name: 2-azanyl-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Openeye Name: 2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide CAS Name: 2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide IUPAC Name: 2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Traditional Name: 2-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=CC=C2N

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC=C2N

InChI

InChI=1S/C12H17N3O2S/c13-10-6-3-4-7-11(10)18(16,17)15-12-8-2-1-5-9-14-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)/p+1