methyl 3-(butylamino)-4-phenoxy-5-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: methyl 3-(butylamino)-4-phenoxy-5-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: methyl 3-(benzylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate CAS Name: 3-(butylamino)-4-phenoxy-5-[(phenylmethyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-(benzylsulfamoyl)-5-(butylamino)-4-phenoxybenzoate Traditional Name: 3-(benzylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoic acid methyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OC)S(=O)(=O)NCC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OC)S(=O)(=O)NCC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5S/c1-3-4-15-26-22-16-20(25(28)31-2)17-23(24(22)32-21-13-9-6-10-14-21)33(29,30)27-18-19-11-7-5-8-12-19/h5-14,16-17,26-27H,3-4,15,18H2,1-2H3