3-(butylamino)-5-(hexylsulfamoyl)-4-phenoxy-benzoate

Systemtic Name: 3-(butylamino)-5-(hexylsulfamoyl)-4-phenoxy-benzoate Openeye Name: 3-(butylamino)-5-(hexylsulfamoyl)-4-phenoxy-benzoate CAS Name: 3-(butylamino)-5-(hexylsulfamoyl)-4-phenoxybenzoate IUPAC Name: 3-(butylamino)-5-(hexylsulfamoyl)-4-phenoxybenzoate Traditional Name: 3-(butylamino)-5-(hexylsulfamoyl)-4-phenoxy-benzoate Formula: C23H31N2O5S- MolecularWeight: 447.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCCCC)C(=O)[O-]

InChI

InChI=1S/C23H32N2O5S/c1-3-5-7-11-15-25-31(28,29)21-17-18(23(26)27)16-20(24-14-6-4-2)22(21)30-19-12-9-8-10-13-19/h8-10,12-13,16-17,24-25H,3-7,11,14-15H2,1-2H3,(H,26,27)/p-1