5-[3-[[2-hexadecoxy-5-(methylsulfamoyl)phenyl]amino]-3-oxidanylidene-propanoyl]-2-methoxy-benzenesulfonic acid

Systemtic Name: 5-[3-[[2-hexadecoxy-5-(methylsulfamoyl)phenyl]amino]-3-oxidanylidene-propanoyl]-2-methoxy-benzenesulfonic acid Openeye Name: 5-[3-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-3-oxo-propanoyl]-2-methoxy-benzenesulfonic acid CAS Name: 5-[3-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-1,3-dioxopropyl]-2-methoxybenzenesulfonic acid IUPAC Name: 5-[3-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-3-oxopropanoyl]-2-methoxybenzenesulfonic acid Traditional Name: 5-[3-[2-cetyloxy-5-(methylsulfamoyl)anilino]-3-keto-propanoyl]-2-methoxy-besylic acid Formula: C33H50N2O9S2 MolecularWeight: 682.8881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)CC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)CC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)O

InChI

InChI=1S/C33H50N2O9S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-44-30-21-19-27(45(38,39)34-2)24-28(30)35-33(37)25-29(36)26-18-20-31(43-3)32(23-26)46(40,41)42/h18-21,23-24,34H,4-17,22,25H2,1-3H3,(H,35,37)(H,40,41,42)