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

Systemtic Name: (4-nitrophenyl)methyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate Openeye Name: (4-nitrophenyl)methyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoate CAS Name: 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxybenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxybenzoate Traditional Name: 3-(butylamino)-5-(decoxymethylsulfamoyl)-4-phenoxy-benzoic acid (4-nitrobenzyl) ester Formula: C35H47N3O8S MolecularWeight: 669.82798

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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)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCCCC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C35H47N3O8S/c1-3-5-7-8-9-10-11-15-23-44-27-37-47(42,43)33-25-29(35(39)45-26-28-18-20-30(21-19-28)38(40)41)24-32(36-22-6-4-2)34(33)46-31-16-13-12-14-17-31/h12-14,16-21,24-25,36-37H,3-11,15,22-23,26-27H2,1-2H3