N'-(4-ethanoylphenyl)-N-methyl-N-(4-nitrophenyl)sulfonyl-methanimidamide; 1-phenylethanone

Systemtic Name: N'-(4-ethanoylphenyl)-N-methyl-N-(4-nitrophenyl)sulfonyl-methanimidamide; 1-phenylethanone Openeye Name: N'-(4-acetylphenyl)-N-methyl-N-(4-nitrophenyl)sulfonyl-formamidine; 1-phenylethanone CAS Name: N'-(4-acetylphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide; 1-phenylethanone IUPAC Name: N'-(4-acetylphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide; 1-phenylethanone Traditional Name: acetophenone; N'-(4-acetylphenyl)-N-methyl-N-nosyl-formamidine Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.CC(=O)C1=CC=C(C=C1)N=CN(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1.CC(=O)C1=CC=C(C=C1)N=CN(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S.C8H8O/c1-12(20)13-3-5-14(6-4-13)17-11-18(2)25(23,24)16-9-7-15(8-10-16)19(21)22;1-7(9)8-5-3-2-4-6-8/h3-11H,1-2H3;2-6H,1H3