N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H23ClN3O4S+ MolecularWeight: 424.92162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H22ClN3O4S/c1-22-6-8-23(9-7-22)17-4-2-14(20)12-16(17)21-28(24,25)15-3-5-18-19(13-15)27-11-10-26-18/h2-5,12-13,21H,6-11H2,1H3/p+1