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

Systemtic Name: (4-methoxyphenyl)methyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate Openeye Name: (4-methoxyphenyl)methyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate CAS Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoate Traditional Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoic acid p-anisyl ester Formula: C30H38N2O7S MolecularWeight: 570.69692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)OC)S(=O)(=O)NCOCCCC)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)OC)S(=O)(=O)NCOCCCC)OC3=CC=CC=C3

InChI

InChI=1S/C30H38N2O7S/c1-4-6-17-31-27-19-24(30(33)38-21-23-13-15-25(36-3)16-14-23)20-28(29(27)39-26-11-9-8-10-12-26)40(34,35)32-22-37-18-7-5-2/h8-16,19-20,31-32H,4-7,17-18,21-22H2,1-3H3