2-hexadecoxy-5-[[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-hexadecoxy-5-[[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-hexadecoxy-5-[[4-(1-naphthylsulfamoyl)phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-hexadecoxy-5-[[4-(1-naphthalenylsulfamoyl)anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-hexadecoxy-5-[[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-cetyloxy-5-[[4-(1-naphthylsulfamoyl)phenyl]carbamoyl]besylic acid Formula: C39H50N2O7S2 MolecularWeight: 722.9535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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