phenyl 2-ethyl-7,7-dimethyl-3-(phenylsulfonylamino)octanoate

Systemtic Name: phenyl 2-ethyl-7,7-dimethyl-3-(phenylsulfonylamino)octanoate Openeye Name: phenyl 3-(benzenesulfonamido)-2-ethyl-7,7-dimethyl-octanoate CAS Name: 3-(benzenesulfonamido)-2-ethyl-7,7-dimethyloctanoic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonamido)-2-ethyl-7,7-dimethyloctanoate Traditional Name: 3-(benzenesulfonamido)-2-ethyl-7,7-dimethyl-caprylic acid phenyl ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(CCCC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C24H33NO4S/c1-5-21(23(26)29-19-13-8-6-9-14-19)22(17-12-18-24(2,3)4)25-30(27,28)20-15-10-7-11-16-20/h6-11,13-16,21-22,25H,5,12,17-18H2,1-4H3