(1-oxidanidylpyridin-1-ium-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-oxidopyridin-1-ium-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-oxidopyridin-1-ium-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])C)C

InChI

InChI=1S/C20H25N3O4S/c1-14-12-15(2)17(4)19(16(14)3)28(26,27)23-10-8-21(9-11-23)20(24)18-6-5-7-22(25)13-18/h5-7,12-13H,8-11H2,1-4H3