phenyl 3-(butylamino)-2-cyclohexyl-2-(methylsulfonyloxymethyl)-3-oxidanylidene-propanoate

Systemtic Name: phenyl 3-(butylamino)-2-cyclohexyl-2-(methylsulfonyloxymethyl)-3-oxidanylidene-propanoate Openeye Name: phenyl 3-(butylamino)-2-cyclohexyl-2-(methylsulfonyloxymethyl)-3-oxo-propanoate CAS Name: 3-(butylamino)-2-cyclohexyl-2-(methylsulfonyloxymethyl)-3-oxopropanoic acid phenyl ester IUPAC Name: phenyl 3-(butylamino)-2-cyclohexyl-2-(methylsulfonyloxymethyl)-3-oxopropanoate Traditional Name: 3-(butylamino)-2-cyclohexyl-3-keto-2-(methylsulfonyloxymethyl)propionic acid phenyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(COS(=O)(=O)C)(C1CCCCC1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C(COS(=O)(=O)C)(C1CCCCC1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H31NO6S/c1-3-4-15-22-19(23)21(16-27-29(2,25)26,17-11-7-5-8-12-17)20(24)28-18-13-9-6-10-14-18/h6,9-10,13-14,17H,3-5,7-8,11-12,15-16H2,1-2H3,(H,22,23)