sodium 4-[[4-(hexadecylamino)phenyl]carbonylamino]benzenesulfonate

Systemtic Name: sodium 4-[[4-(hexadecylamino)phenyl]carbonylamino]benzenesulfonate Openeye Name: sodium 4-[[4-(hexadecylamino)benzoyl]amino]benzenesulfonate CAS Name: sodium 4-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 4-[[4-(hexadecylamino)benzoyl]amino]benzenesulfonate Traditional Name: sodium 4-[[4-(cetylamino)benzoyl]amino]besylate Formula: C29H43N2NaO4S MolecularWeight: 538.71749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C29H44N2O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-30-26-18-16-25(17-19-26)29(32)31-27-20-22-28(23-21-27)36(33,34)35;/h16-23,30H,2-15,24H2,1H3,(H,31,32)(H,33,34,35);/q;+1/p-1