[4-[(3-chloranylpropylsulfonylamino)methyl]-5-hexadecylsulfanyl-pentyl] benzoate

Systemtic Name: [4-[(3-chloranylpropylsulfonylamino)methyl]-5-hexadecylsulfanyl-pentyl] benzoate Openeye Name: [4-[(3-chloropropylsulfonylamino)methyl]-5-hexadecylsulfanyl-pentyl] benzoate CAS Name: benzoic acid [4-[(3-chloropropylsulfonylamino)methyl]-5-(hexadecylthio)pentyl] ester IUPAC Name: [4-[(3-chloropropylsulfonylamino)methyl]-5-hexadecylsulfanylpentyl] benzoate Traditional Name: benzoic acid [4-[(cetylthio)methyl]-5-(3-chloropropylsulfonylamino)pentyl] ester Formula: C32H56ClNO4S2 MolecularWeight: 618.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CCCOC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CCCOC(=O)C1=CC=CC=C1)CNS(=O)(=O)CCCCl

InChI

InChI=1S/C32H56ClNO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-26-39-29-30(28-34-40(36,37)27-20-24-33)21-19-25-38-32(35)31-22-16-15-17-23-31/h15-17,22-23,30,34H,2-14,18-21,24-29H2,1H3