ethanoyl-diethyl-[1-(4-methylphenyl)sulfonyl-3-phenyl-aziridin-2-yl]azanium

Systemtic Name: ethanoyl-diethyl-[1-(4-methylphenyl)sulfonyl-3-phenyl-aziridin-2-yl]azanium Openeye Name: acetyl-diethyl-[3-phenyl-1-(p-tolylsulfonyl)aziridin-2-yl]ammonium CAS Name: acetyl-diethyl-[1-(4-methylphenyl)sulfonyl-3-phenyl-2-aziridinyl]ammonium IUPAC Name: acetyl-diethyl-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]azanium Traditional Name: acetyl-diethyl-(3-phenyl-1-tosyl-ethylenimin-2-yl)ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC[N+](CC)(C1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H27N2O3S/c1-5-23(6-2,17(4)24)21-20(18-10-8-7-9-11-18)22(21)27(25,26)19-14-12-16(3)13-15-19/h7-15,20-21H,5-6H2,1-4H3/q+1