N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-methyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-methyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24FN3O3S/c1-16-3-9-19(10-4-16)28(26,27)24(15-17-5-7-18(21)8-6-17)20(25)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3/p+1