4-methyl-N-(4-methylphenyl)sulfonyl-N-phenacyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-phenacyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-phenacyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-phenacyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-phenacylpiperazin-4-ium-1-carboxamide Traditional Name: 4-methyl-N-phenacyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H25N3O4S/c1-17-8-10-19(11-9-17)29(27,28)24(16-20(25)18-6-4-3-5-7-18)21(26)23-14-12-22(2)13-15-23/h3-11H,12-16H2,1-2H3/p+1