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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2R)-2-(2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2R)-2-(2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4

InChI

InChI=1S/C19H25N3O5S/c1-21-6-8-22(9-7-21)16(17-3-2-10-25-17)14-20-28(23,24)15-4-5-18-19(13-15)27-12-11-26-18/h2-5,10,13,16,20H,6-9,11-12,14H2,1H3/p+1/t16-/m1/s1