N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C23H32N3O3S2+ MolecularWeight: 462.64848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H31N3O3S2/c1-19-5-11-22(12-6-19)31(28,29)26-14-4-13-25(15-16-26)18-23(27)24(2)17-20-7-9-21(30-3)10-8-20/h5-12H,4,13-18H2,1-3H3/p+1