1-(3-methylsulfonylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(3-methylsulfonylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(3-methylsulfonylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(3-methylsulfonylphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3-methylsulfonylphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3-mesylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C16H20N3O4S2+ MolecularWeight: 382.4777

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H19N3O4S2/c1-24(20,21)14-5-4-6-15(13-14)25(22,23)19-11-9-18(10-12-19)16-7-2-3-8-17-16/h2-8,13H,9-12H2,1H3/p+1