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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]ethanesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]ethanesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]ethanesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]ethanesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanesulfonamide Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H25N3O5S/c1-3-26(22,23)20(13-17(21)19-8-6-18(2)7-9-19)14-4-5-15-16(12-14)25-11-10-24-15/h4-5,12H,3,6-11,13H2,1-2H3/p+1