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

Systemtic Name: methyl (E,2S,5S)-2-butyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate Openeye Name: methyl (E,2S,5S)-2-butyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate CAS Name: (E,2S,5S)-2-butyl-5-[(2-nitrophenyl)sulfonylamino]-3-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,5S)-2-butyl-5-[(2-nitrophenyl)sulfonylamino]hex-3-enoate Traditional Name: (E,2S,5S)-2-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6S/c1-4-5-8-14(17(20)25-3)12-11-13(2)18-26(23,24)16-10-7-6-9-15(16)19(21)22/h6-7,9-14,18H,4-5,8H2,1-3H3/b12-11+/t13-,14-/m0/s1