N-methyl-4-(4-octyl-2-sulfanyl-phenoxy)butane-1-sulfonamide

Systemtic Name: N-methyl-4-(4-octyl-2-sulfanyl-phenoxy)butane-1-sulfonamide Openeye Name: N-methyl-4-(4-octyl-2-sulfanyl-phenoxy)butane-1-sulfonamide CAS Name: 4-(2-mercapto-4-octylphenoxy)-N-methyl-1-butanesulfonamide IUPAC Name: N-methyl-4-(4-octyl-2-sulfanylphenoxy)butane-1-sulfonamide Traditional Name: 4-(2-mercapto-4-octyl-phenoxy)-N-methyl-butane-1-sulfonamide Formula: C19H33NO3S2 MolecularWeight: 387.60022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCCCCS(=O)(=O)NC)S

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCCCCS(=O)(=O)NC)S

InChI

InChI=1S/C19H33NO3S2/c1-3-4-5-6-7-8-11-17-12-13-18(19(24)16-17)23-14-9-10-15-25(21,22)20-2/h12-13,16,20,24H,3-11,14-15H2,1-2H3