diethyl-[[4-[[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]methyl]benzyl]ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C

InChI

InChI=1S/C22H31N3O3S/c1-5-24(6-2)16-20-13-11-19(12-14-20)15-23-22(26)17-25(29(4,27)28)21-10-8-7-9-18(21)3/h7-14H,5-6,15-17H2,1-4H3,(H,23,26)/p+1