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

Systemtic Name: methyl (E,2S,5S)-2-(2-methylpropyl)-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate Openeye Name: methyl (E,2S,5S)-2-isobutyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate CAS Name: (E,2S,5S)-2-(2-methylpropyl)-5-[(2-nitrophenyl)sulfonylamino]-3-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,5S)-2-(2-methylpropyl)-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate Traditional Name: (E,2S,5S)-2-isobutyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoic acid methyl ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6S/c1-12(2)11-14(17(20)25-4)10-9-13(3)18-26(23,24)16-8-6-5-7-15(16)19(21)22/h5-10,12-14,18H,11H2,1-4H3/b10-9+/t13-,14+/m0/s1