methyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]heptanoate

Systemtic Name: methyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]heptanoate Openeye Name: methyl 2-(cyclohexylcarbamoyl)-2-(p-tolylsulfonyloxymethyl)heptanoate CAS Name: 2-[(cyclohexylamino)-oxomethyl]-2-[(4-methylphenyl)sulfonyloxymethyl]heptanoic acid methyl ester IUPAC Name: methyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]heptanoate Traditional Name: 2-(cyclohexylcarbamoyl)-2-(tosyloxymethyl)enanthic acid methyl ester Formula: C23H35NO6S MolecularWeight: 453.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COS(=O)(=O)C1=CC=C(C=C1)C)(C(=O)NC2CCCCC2)C(=O)OC

Isomeric SMILES

CCCCCC(COS(=O)(=O)C1=CC=C(C=C1)C)(C(=O)NC2CCCCC2)C(=O)OC

InChI

InChI=1S/C23H35NO6S/c1-4-5-9-16-23(22(26)29-3,21(25)24-19-10-7-6-8-11-19)17-30-31(27,28)20-14-12-18(2)13-15-20/h12-15,19H,4-11,16-17H2,1-3H3,(H,24,25)