(3S)-N'-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3S)-N'-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3S)-N'-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3S)-N'-[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3S)-N'-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3S)-N'-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C21H25N4O6S+ MolecularWeight: 461.5114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N4O6S/c1-24-9-11-25(12-10-24)32(28,29)16-6-4-5-15(13-16)20(26)22-23-21(27)19-14-30-17-7-2-3-8-18(17)31-19/h2-8,13,19H,9-12,14H2,1H3,(H,22,26)(H,23,27)/p+1/t19-/m0/s1