N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H25N3O4S/c1-22-9-11-23(12-10-22)18-6-3-2-5-17(18)21-28(24,25)16-7-8-19-20(15-16)27-14-4-13-26-19/h2-3,5-8,15,21H,4,9-14H2,1H3/p+1