4-hexadecoxy-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

Systemtic Name: 4-hexadecoxy-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Openeye Name: 4-hexadecoxy-N-(1-methyl-2-sulfanyl-ethyl)benzenesulfonamide CAS Name: 4-hexadecoxy-N-(1-mercaptopropan-2-yl)benzenesulfonamide IUPAC Name: 4-hexadecoxy-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Traditional Name: 4-cetyloxy-N-(2-mercapto-1-methyl-ethyl)benzenesulfonamide Formula: C25H45NO3S2 MolecularWeight: 471.7597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)NC(C)CS

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)NC(C)CS

InChI

InChI=1S/C25H45NO3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-24-17-19-25(20-18-24)31(27,28)26-23(2)22-30/h17-20,23,26,30H,3-16,21-22H2,1-2H3