4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-sulfonamide Openeye Name: 4-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-sulfonamide CAS Name: 4-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-1-sulfonamide Traditional Name: 4-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]piperazin-4-ium-1-sulfonamide Formula: C20H28N5O5S2+ MolecularWeight: 482.59682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H27N5O5S2/c21-32(29,30)25-11-7-22(8-12-25)16-20(26)23-9-13-24(14-10-23)31(27,28)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15H,7-14,16H2,(H2,21,29,30)/p+1