6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(2-cyanophenyl)sulfonylpiperazino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C20H26N5O4S2+ MolecularWeight: 464.58154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H25N5O4S2/c1-3-24(4-2)30(26,27)18-9-10-20(22-16-18)23-11-13-25(14-12-23)31(28,29)19-8-6-5-7-17(19)15-21/h5-10,16H,3-4,11-14H2,1-2H3/p+1