6-[4-(phenylsulfonyl)piperazin-1-yl]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(phenylsulfonyl)piperazin-1-yl]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-pyridinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-2-ylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(4-besylpiperazino)-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide Formula: C20H22N5O4S2+ MolecularWeight: 460.54978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O4S2/c26-30(27,23-19-8-4-5-11-21-19)18-9-10-20(22-16-18)24-12-14-25(15-13-24)31(28,29)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,21,23)/p+1