N-[3-(hexadecylsulfanylmethyl)-4-oxidanyl-butan-2-yl]methanesulfonamide; phosphoric acid

Systemtic Name: N-[3-(hexadecylsulfanylmethyl)-4-oxidanyl-butan-2-yl]methanesulfonamide; phosphoric acid Openeye Name: N-[2-(hexadecylsulfanylmethyl)-3-hydroxy-1-methyl-propyl]methanesulfonamide; phosphoric acid CAS Name: N-[3-[(hexadecylthio)methyl]-4-hydroxybutan-2-yl]methanesulfonamide; phosphoric acid IUPAC Name: N-[3-(hexadecylsulfanylmethyl)-4-hydroxybutan-2-yl]methanesulfonamide; phosphoric acid Traditional Name: N-[2-[(cetylthio)methyl]-3-hydroxy-1-methyl-propyl]methanesulfonamide; phosphoric acid Formula: C22H50NO7PS2 MolecularWeight: 535.738661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)C(C)NS(=O)(=O)C.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)C(C)NS(=O)(=O)C.OP(=O)(O)O

InChI

InChI=1S/C22H47NO3S2.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-20-22(19-24)21(2)23-28(3,25)26;1-5(2,3)4/h21-24H,4-20H2,1-3H3;(H3,1,2,3,4)