ethyl 4-[3-[(4-acetyloxy-5,5-dimethyl-nonyl)-methylsulfonyl-amino]propyl]benzoate

Systemtic Name: ethyl 4-[3-[(4-acetyloxy-5,5-dimethyl-nonyl)-methylsulfonyl-amino]propyl]benzoate Openeye Name: ethyl 4-[3-[(4-acetoxy-5,5-dimethyl-nonyl)-methylsulfonyl-amino]propyl]benzoate CAS Name: 4-[3-[(4-acetyloxy-5,5-dimethylnonyl)-methylsulfonylamino]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-acetyloxy-5,5-dimethylnonyl)-methylsulfonylamino]propyl]benzoate Traditional Name: 4-[3-[(4-acetoxy-5,5-dimethyl-nonyl)-mesyl-amino]propyl]benzoic acid ethyl ester Formula: C26H43NO6S MolecularWeight: 497.68772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCCN(CCCC1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(CCCN(CCCC1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C26H43NO6S/c1-7-9-18-26(4,5)24(33-21(3)28)13-11-20-27(34(6,30)31)19-10-12-22-14-16-23(17-15-22)25(29)32-8-2/h14-17,24H,7-13,18-20H2,1-6H3