N-[1-(4-octyl-2-sulfanyl-phenoxy)ethyl]methanesulfonamide

Systemtic Name: N-[1-(4-octyl-2-sulfanyl-phenoxy)ethyl]methanesulfonamide Openeye Name: N-[1-(4-octyl-2-sulfanyl-phenoxy)ethyl]methanesulfonamide CAS Name: N-[1-(2-mercapto-4-octylphenoxy)ethyl]methanesulfonamide IUPAC Name: N-[1-(4-octyl-2-sulfanylphenoxy)ethyl]methanesulfonamide Traditional Name: N-[1-(2-mercapto-4-octyl-phenoxy)ethyl]methanesulfonamide Formula: C17H29NO3S2 MolecularWeight: 359.54706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(C)NS(=O)(=O)C)S

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(C)NS(=O)(=O)C)S

InChI

InChI=1S/C17H29NO3S2/c1-4-5-6-7-8-9-10-15-11-12-16(17(22)13-15)21-14(2)18-23(3,19)20/h11-14,18,22H,4-10H2,1-3H3