N-chloranyl-N-hexadecyl-3-methoxy-4-(methylsulfanylmethyl)-1,4-bis(oxidanyl)cyclohexane-1-carboxamide

Systemtic Name: N-chloranyl-N-hexadecyl-3-methoxy-4-(methylsulfanylmethyl)-1,4-bis(oxidanyl)cyclohexane-1-carboxamide Openeye Name: N-chloro-N-hexadecyl-1,4-dihydroxy-3-methoxy-4-(methylsulfanylmethyl)cyclohexanecarboxamide CAS Name: N-chloro-N-hexadecyl-1,4-dihydroxy-3-methoxy-4-[(methylthio)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-chloro-N-hexadecyl-1,4-dihydroxy-3-methoxy-4-(methylsulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: N-cetyl-N-chloro-1,4-dihydroxy-3-methoxy-4-[(methylthio)methyl]cyclohexanecarboxamide Formula: C26H50ClNO4S MolecularWeight: 508.1975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(=O)C1(CCC(C(C1)OC)(CSC)O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(=O)C1(CCC(C(C1)OC)(CSC)O)O)Cl

InChI

InChI=1S/C26H50ClNO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(27)24(29)25(30)18-19-26(31,22-33-3)23(21-25)32-2/h23,30-31H,4-22H2,1-3H3