2-[octadecanoyl(phenyl)amino]ethanesulfonic acid

Systemtic Name: 2-[octadecanoyl(phenyl)amino]ethanesulfonic acid Openeye Name: 2-(N-octadecanoylanilino)ethanesulfonic acid CAS Name: 2-[N-(1-oxooctadecyl)anilino]ethanesulfonic acid IUPAC Name: 2-(N-octadecanoylanilino)ethanesulfonic acid Traditional Name: 2-(N-stearoylanilino)ethanesulfonic acid Formula: C26H45NO4S MolecularWeight: 467.7048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C26H45NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27(23-24-32(29,30)31)25-20-17-16-18-21-25/h16-18,20-21H,2-15,19,22-24H2,1H3,(H,29,30,31)