N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-4-ium-1-sulfonamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-4-ium-1-sulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-4-ium-1-sulfonamide Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)N3CC[NH2+]CC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)N3CC[NH2+]CC3)OC1

InChI

InChI=1S/C13H19N3O4S/c17-21(18,16-6-4-14-5-7-16)15-11-2-3-12-13(10-11)20-9-1-8-19-12/h2-3,10,14-15H,1,4-9H2/p+1