N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C24H28N3O5S+ MolecularWeight: 470.56122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N3O5S/c28-33(29,20-8-9-23-24(17-20)32-16-15-31-23)25-18-21(22-7-4-14-30-22)27-12-10-26(11-13-27)19-5-2-1-3-6-19/h1-9,14,17,21,25H,10-13,15-16,18H2/p+1/t21-/m0/s1