(E)-3-(4-methylsulfonylphenyl)-N-(1-nitrososulfanylpropyl)prop-2-enamide

Systemtic Name: (E)-3-(4-methylsulfonylphenyl)-N-(1-nitrososulfanylpropyl)prop-2-enamide Openeye Name: (E)-3-(4-methylsulfonylphenyl)-N-(1-nitrososulfanylpropyl)prop-2-enamide CAS Name: (E)-3-(4-methylsulfonylphenyl)-N-[1-(nitrosothio)propyl]-2-propenamide IUPAC Name: (E)-3-(4-methylsulfonylphenyl)-N-(1-nitrososulfanylpropyl)prop-2-enamide Traditional Name: (E)-3-(4-mesylphenyl)-N-[1-(nitrosothio)propyl]acrylamide Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)C)SN=O

Isomeric SMILES

CCC(NC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)C)SN=O

InChI

InChI=1S/C13H16N2O4S2/c1-3-13(20-15-17)14-12(16)9-6-10-4-7-11(8-5-10)21(2,18)19/h4-9,13H,3H2,1-2H3,(H,14,16)/b9-6+