N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[oxo-[4-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-piperonyl-3-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C24H30N3O6S+ MolecularWeight: 488.5765

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](OC1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O6S/c28-24(27-10-8-26(9-11-27)16-20-4-2-12-31-20)19-3-1-5-21(14-19)34(29,30)25-15-18-6-7-22-23(13-18)33-17-32-22/h1,3,5-7,13-14,20,25H,2,4,8-12,15-17H2/p+1/t20-/m0/s1