2-(3-nitrophenyl)sulfonylethyl 6-(2-phenoxyethoxyamino)hexanoate

Systemtic Name: 2-(3-nitrophenyl)sulfonylethyl 6-(2-phenoxyethoxyamino)hexanoate Openeye Name: 2-(3-nitrophenyl)sulfonylethyl 6-(2-phenoxyethoxyamino)hexanoate CAS Name: 6-(2-phenoxyethoxyamino)hexanoic acid 2-(3-nitrophenyl)sulfonylethyl ester IUPAC Name: 2-(3-nitrophenyl)sulfonylethyl 6-(2-phenoxyethoxyamino)hexanoate Traditional Name: 6-(2-phenoxyethoxyamino)hexanoic acid 2-(3-nitrophenyl)sulfonylethyl ester Formula: C22H28N2O8S MolecularWeight: 480.53132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCONCCCCCC(=O)OCCS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCONCCCCCC(=O)OCCS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O8S/c25-22(31-16-17-33(28,29)21-11-7-8-19(18-21)24(26)27)12-5-2-6-13-23-32-15-14-30-20-9-3-1-4-10-20/h1,3-4,7-11,18,23H,2,5-6,12-17H2