sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-4-phenoxy-benzoate

Systemtic Name: sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-4-phenoxy-benzoate Openeye Name: sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-4-phenoxy-benzoate CAS Name: 3-(butylamino)-5-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-4-phenoxybenzoic acid sulfamoyl ester IUPAC Name: sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-4-phenoxybenzoate Traditional Name: 3-(butylamino)-5-(methoxymethyl)-2-p-anisyl-4-phenoxy-benzoic acid sulfamoyl ester Formula: C27H32N2O7S MolecularWeight: 528.61718

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O7S/c1-4-5-15-29-25-23(16-19-11-13-21(34-3)14-12-19)24(27(30)36-37(28,31)32)17-20(18-33-2)26(25)35-22-9-7-6-8-10-22/h6-14,17,29H,4-5,15-16,18H2,1-3H3,(H2,28,31,32)