[3-hexadecylsulfanyl-2-(methoxycarbonylamino)propyl] methanesulfonate

Systemtic Name: [3-hexadecylsulfanyl-2-(methoxycarbonylamino)propyl] methanesulfonate Openeye Name: [3-hexadecylsulfanyl-2-(methoxycarbonylamino)propyl] methanesulfonate CAS Name: methanesulfonic acid [3-(hexadecylthio)-2-(methoxycarbonylamino)propyl] ester IUPAC Name: [3-hexadecylsulfanyl-2-(methoxycarbonylamino)propyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(carbomethoxyamino)-3-(cetylthio)propyl] ester Formula: C22H45NO5S2 MolecularWeight: 467.7264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COS(=O)(=O)C)NC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COS(=O)(=O)C)NC(=O)OC

InChI

InChI=1S/C22H45NO5S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-20-21(23-22(24)27-2)19-28-30(3,25)26/h21H,4-20H2,1-3H3,(H,23,24)