[4-[(3-chloranylpropylsulfonylamino)methyl]-5-hexadecylsulfanyl-pentan-2-yl] benzoate

Systemtic Name: [4-[(3-chloranylpropylsulfonylamino)methyl]-5-hexadecylsulfanyl-pentan-2-yl] benzoate Openeye Name: [3-[(3-chloropropylsulfonylamino)methyl]-4-hexadecylsulfanyl-1-methyl-butyl] benzoate CAS Name: benzoic acid [4-[(3-chloropropylsulfonylamino)methyl]-5-(hexadecylthio)pentan-2-yl] ester IUPAC Name: [4-[(3-chloropropylsulfonylamino)methyl]-5-hexadecylsulfanylpentan-2-yl] benzoate Traditional Name: benzoic acid [3-[(cetylthio)methyl]-4-(3-chloropropylsulfonylamino)-1-methyl-butyl] ester Formula: C32H56ClNO4S2 MolecularWeight: 618.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CC(C)OC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CC(C)OC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

InChI

InChI=1S/C32H56ClNO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-39-28-30(27-34-40(36,37)25-20-23-33)26-29(2)38-32(35)31-21-17-16-18-22-31/h16-18,21-22,29-30,34H,3-15,19-20,23-28H2,1-2H3