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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-22-8-10-23(11-9-22)20(24)15-2-4-16(5-3-15)21-29(25,26)17-6-7-18-19(14-17)28-13-12-27-18/h2-7,14,21H,8-13H2,1H3/p+1