[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-methylsulfonylphenyl)-3-oxidanyl-propyl] hexadecanoate

Systemtic Name: [2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-methylsulfonylphenyl)-3-oxidanyl-propyl] hexadecanoate Openeye Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] ester IUPAC Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] hexadecanoate Traditional Name: palmitic acid [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-mesylphenyl)propyl] ester Formula: C28H45Cl2NO6S MolecularWeight: 594.631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)S(=O)(=O)C)O)NC(=O)C(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)S(=O)(=O)C)O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(32)37-21-24(31-28(34)27(29)30)26(33)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,33H,3-16,21H2,1-2H3,(H,31,34)