(E)-N-methyl-3-[(2S,3S)-3-methyl-1-(4-nitrophenyl)sulfonyl-aziridin-2-yl]prop-2-enamide

Systemtic Name: (E)-N-methyl-3-[(2S,3S)-3-methyl-1-(4-nitrophenyl)sulfonyl-aziridin-2-yl]prop-2-enamide Openeye Name: (E)-N-methyl-3-[(2S,3S)-3-methyl-1-(4-nitrophenyl)sulfonyl-aziridin-2-yl]prop-2-enamide CAS Name: (E)-N-methyl-3-[(2S,3S)-3-methyl-1-(4-nitrophenyl)sulfonyl-2-aziridinyl]-2-propenamide IUPAC Name: (E)-N-methyl-3-[(2S,3S)-3-methyl-1-(4-nitrophenyl)sulfonylaziridin-2-yl]prop-2-enamide Traditional Name: (E)-N-methyl-3-[(2S,3S)-3-methyl-1-nosyl-ethylenimin-2-yl]acrylamide Formula: C13H15N3O5S MolecularWeight: 325.3403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=CC(=O)NC

Isomeric SMILES

C[C@H]1[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C=C/C(=O)NC

InChI

InChI=1S/C13H15N3O5S/c1-9-12(7-8-13(17)14-2)15(9)22(20,21)11-5-3-10(4-6-11)16(18)19/h3-9,12H,1-2H3,(H,14,17)/b8-7+/t9-,12-,15?/m0/s1