ethyl 4-[3-[(4-acetyloxy-8,8-dimethyl-nonyl)-methylsulfonyl-amino]propyl]benzoate

Systemtic Name: ethyl 4-[3-[(4-acetyloxy-8,8-dimethyl-nonyl)-methylsulfonyl-amino]propyl]benzoate Openeye Name: ethyl 4-[3-[(4-acetoxy-8,8-dimethyl-nonyl)-methylsulfonyl-amino]propyl]benzoate CAS Name: 4-[3-[(4-acetyloxy-8,8-dimethylnonyl)-methylsulfonylamino]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-acetyloxy-8,8-dimethylnonyl)-methylsulfonylamino]propyl]benzoate Traditional Name: 4-[3-[(4-acetoxy-8,8-dimethyl-nonyl)-mesyl-amino]propyl]benzoic acid ethyl ester Formula: C26H43NO6S MolecularWeight: 497.68772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCN(CCCC(CCCC(C)(C)C)OC(=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCN(CCCC(CCCC(C)(C)C)OC(=O)C)S(=O)(=O)C

InChI

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