N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]ethanesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]ethanesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]ethanesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]ethanesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]ethanesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]ethanesulfonamide Formula: C18H28N3O5S+ MolecularWeight: 398.49702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC

InChI

InChI=1S/C18H27N3O5S/c1-3-19-7-9-20(10-8-19)18(22)14-21(27(23,24)4-2)15-5-6-16-17(13-15)26-12-11-25-16/h5-6,13H,3-4,7-12,14H2,1-2H3/p+1