(4-methoxyphenyl)methyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate

Systemtic Name: (4-methoxyphenyl)methyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate Openeye Name: (4-methoxyphenyl)methyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate CAS Name: 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxybenzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxybenzoate Traditional Name: 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoic acid p-anisyl ester Formula: C36H50N2O7S MolecularWeight: 654.8564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCCCC)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCCCOCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCCCC)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C36H50N2O7S/c1-4-6-8-9-10-11-12-16-24-43-28-38-46(40,41)34-26-30(36(39)44-27-29-19-21-31(42-3)22-20-29)25-33(37-23-7-5-2)35(34)45-32-17-14-13-15-18-32/h13-15,17-22,25-26,37-38H,4-12,16,23-24,27-28H2,1-3H3