3-chloranyl-N-[2-(hexadecylsulfanylmethyl)-4-oxidanylidene-pentyl]propane-1-sulfonamide

Systemtic Name: 3-chloranyl-N-[2-(hexadecylsulfanylmethyl)-4-oxidanylidene-pentyl]propane-1-sulfonamide Openeye Name: 3-chloro-N-[2-(hexadecylsulfanylmethyl)-4-oxo-pentyl]propane-1-sulfonamide CAS Name: 3-chloro-N-[2-[(hexadecylthio)methyl]-4-oxopentyl]-1-propanesulfonamide IUPAC Name: 3-chloro-N-[2-(hexadecylsulfanylmethyl)-4-oxopentyl]propane-1-sulfonamide Traditional Name: N-[2-[(cetylthio)methyl]-4-keto-pentyl]-3-chloro-propane-1-sulfonamide Formula: C25H50ClNO3S2 MolecularWeight: 512.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H50ClNO3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31-23-25(21-24(2)28)22-27-32(29,30)20-17-18-26/h25,27H,3-23H2,1-2H3