4-hexadecoxy-3-[[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamoyl]benzenesulfonate

Systemtic Name: 4-hexadecoxy-3-[[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamoyl]benzenesulfonate Openeye Name: 4-hexadecoxy-3-[[4-(1-naphthylsulfamoyl)phenyl]carbamoyl]benzenesulfonate CAS Name: 4-hexadecoxy-3-[[4-(1-naphthalenylsulfamoyl)anilino]-oxomethyl]benzenesulfonate IUPAC Name: 4-hexadecoxy-3-[[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamoyl]benzenesulfonate Traditional Name: 4-cetyloxy-3-[[4-(1-naphthylsulfamoyl)phenyl]carbamoyl]besylate Formula: C39H49N2O7S2- MolecularWeight: 721.94556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C39H50N2O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-29-48-38-28-27-34(50(45,46)47)30-36(38)39(42)40-32-23-25-33(26-24-32)49(43,44)41-37-22-18-20-31-19-15-16-21-35(31)37/h15-16,18-28,30,41H,2-14,17,29H2,1H3,(H,40,42)(H,45,46,47)/p-1