2-[[4-(hexadecylamino)phenyl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[4-(hexadecylamino)phenyl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[4-(hexadecylamino)benzoyl]amino]ethanesulfonic acid CAS Name: 2-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[4-(hexadecylamino)benzoyl]amino]ethanesulfonic acid Traditional Name: 2-[[4-(cetylamino)benzoyl]amino]ethanesulfonic acid Formula: C25H44N2O4S MolecularWeight: 468.69286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C25H44N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-24-18-16-23(17-19-24)25(28)27-21-22-32(29,30)31/h16-19,26H,2-15,20-22H2,1H3,(H,27,28)(H,29,30,31)