(4-methylsulfonylphenyl)-piperazin-4-ium-1-ylsulfonyl-azanide

Systemtic Name: (4-methylsulfonylphenyl)-piperazin-4-ium-1-ylsulfonyl-azanide Openeye Name: (4-methylsulfonylphenyl)-piperazin-4-ium-1-ylsulfonyl-azanide CAS Name: (4-methylsulfonylphenyl)-(1-piperazin-4-iumylsulfonyl)azanide IUPAC Name: (4-methylsulfonylphenyl)-piperazin-4-ium-1-ylsulfonylazanide Traditional Name: (4-mesylphenyl)-piperazin-4-ium-1-ylsulfonyl-azanide Formula: C11H17N3O4S2 MolecularWeight: 319.40038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)[N-]S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[N-]S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C11H16N3O4S2/c1-19(15,16)11-4-2-10(3-5-11)13-20(17,18)14-8-6-12-7-9-14/h2-5,12H,6-9H2,1H3/q-1/p+1