N-(2-cyanoethyl)-N-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3)C)C

InChI

InChI=1S/C25H32N4O3S/c1-19-17-20(2)22(4)25(21(19)3)33(31,32)28-15-13-27(14-16-28)18-24(30)29(12-8-11-26)23-9-6-5-7-10-23/h5-7,9-10,17H,8,12-16,18H2,1-4H3/p+1