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

Systemtic Name: phenyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]heptanoate Openeye Name: phenyl 2-(cyclohexylcarbamoyl)-2-(p-tolylsulfonyloxymethyl)heptanoate CAS Name: 2-[(cyclohexylamino)-oxomethyl]-2-[(4-methylphenyl)sulfonyloxymethyl]heptanoic acid phenyl ester IUPAC Name: phenyl 2-(cyclohexylcarbamoyl)-2-[(4-methylphenyl)sulfonyloxymethyl]heptanoate Traditional Name: 2-(cyclohexylcarbamoyl)-2-(tosyloxymethyl)enanthic acid phenyl ester Formula: C28H37NO6S MolecularWeight: 515.66148

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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)OC3=CC=CC=C3

Isomeric SMILES

CCCCCC(COS(=O)(=O)C1=CC=C(C=C1)C)(C(=O)NC2CCCCC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C28H37NO6S/c1-3-4-11-20-28(26(30)29-23-12-7-5-8-13-23,27(31)35-24-14-9-6-10-15-24)21-34-36(32,33)25-18-16-22(2)17-19-25/h6,9-10,14-19,23H,3-5,7-8,11-13,20-21H2,1-2H3,(H,29,30)