6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-(4-benzylsulfonylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(4-benzylsulfonylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: 6-(4-benzylsulfonylpiperazino)pyridin-1-ium-3-sulfonamide Formula: C16H21N4O4S2+ MolecularWeight: 397.49234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O4S2/c17-26(23,24)15-6-7-16(18-12-15)19-8-10-20(11-9-19)25(21,22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,17,23,24)/p+1