N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R)-2-(2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R)-2-(2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CO4

InChI

InChI=1S/C18H23N3O5S/c1-20-6-8-21(9-7-20)15(16-3-2-10-24-16)12-19-27(22,23)14-4-5-17-18(11-14)26-13-25-17/h2-5,10-11,15,19H,6-9,12-13H2,1H3/p+1/t15-/m1/s1