methyl (E,2S,5S)-2-ethyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate

Systemtic Name: methyl (E,2S,5S)-2-ethyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate Openeye Name: methyl (E,2S,5S)-2-ethyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate CAS Name: (E,2S,5S)-2-ethyl-5-[(2-nitrophenyl)sulfonylamino]-3-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,5S)-2-ethyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate Traditional Name: (E,2S,5S)-2-ethyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoic acid methyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(C)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC[C@@H](/C=C/[C@H](C)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H20N2O6S/c1-4-12(15(18)23-3)10-9-11(2)16-24(21,22)14-8-6-5-7-13(14)17(19)20/h5-12,16H,4H2,1-3H3/b10-9+/t11-,12-/m0/s1