2-[4-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H30N4O4S/c1-18-8-6-7-11-21(18)27(32(2,30)31)17-23(29)25-20-12-14-26(15-13-20)16-22(28)24-19-9-4-3-5-10-19/h3-11,20H,12-17H2,1-2H3,(H,24,28)(H,25,29)/p+1