sulfamoyl 3-(butylamino)-5-(methoxymethyl)-4-phenoxy-2-(phenylmethyl)benzoate

Systemtic Name: sulfamoyl 3-(butylamino)-5-(methoxymethyl)-4-phenoxy-2-(phenylmethyl)benzoate Openeye Name: sulfamoyl 2-benzyl-3-(butylamino)-5-(methoxymethyl)-4-phenoxy-benzoate CAS Name: 3-(butylamino)-5-(methoxymethyl)-4-phenoxy-2-(phenylmethyl)benzoic acid sulfamoyl ester IUPAC Name: sulfamoyl 2-benzyl-3-(butylamino)-5-(methoxymethyl)-4-phenoxybenzoate Traditional Name: 2-benzyl-3-(butylamino)-5-(methoxymethyl)-4-phenoxy-benzoic acid sulfamoyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1OC2=CC=CC=C2)COC)C(=O)OS(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1OC2=CC=CC=C2)COC)C(=O)OS(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O6S/c1-3-4-15-28-24-22(16-19-11-7-5-8-12-19)23(26(29)34-35(27,30)31)17-20(18-32-2)25(24)33-21-13-9-6-10-14-21/h5-14,17,28H,3-4,15-16,18H2,1-2H3,(H2,27,30,31)