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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-2-22-9-11-23(12-10-22)17-5-3-16(4-6-17)21-28(24,25)18-7-8-19-20(15-18)27-14-13-26-19/h3-8,15,21H,2,9-14H2,1H3/p+1