N-(2-piperazin-4-ium-1-ylethyl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-(2-piperazin-4-ium-1-ylethyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-(2-piperazin-4-ium-1-ylethyl)-1,3-benzodioxole-5-sulfonamide CAS Name: N-[2-(1-piperazin-4-iumyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-(2-piperazin-4-ium-1-ylethyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-(2-piperazin-4-ium-1-ylethyl)-1,3-benzodioxole-5-sulfonamide Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H19N3O4S/c17-21(18,15-5-8-16-6-3-14-4-7-16)11-1-2-12-13(9-11)20-10-19-12/h1-2,9,14-15H,3-8,10H2/p+1