3-[butyl(hexyl)amino]-4-phenoxy-5-(phenylsulfamoyl)benzoate

Systemtic Name: 3-[butyl(hexyl)amino]-4-phenoxy-5-(phenylsulfamoyl)benzoate Openeye Name: 3-[butyl(hexyl)amino]-4-phenoxy-5-(phenylsulfamoyl)benzoate CAS Name: 3-[butyl(hexyl)amino]-4-phenoxy-5-(phenylsulfamoyl)benzoate IUPAC Name: 3-[butyl(hexyl)amino]-4-phenoxy-5-(phenylsulfamoyl)benzoate Traditional Name: 3-[butyl(hexyl)amino]-4-phenoxy-5-(phenylsulfamoyl)benzoate Formula: C29H35N2O5S- MolecularWeight: 523.6636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCC)C1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCN(CCCC)C1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O5S/c1-3-5-7-14-20-31(19-6-4-2)26-21-23(29(32)33)22-27(28(26)36-25-17-12-9-13-18-25)37(34,35)30-24-15-10-8-11-16-24/h8-13,15-18,21-22,30H,3-7,14,19-20H2,1-2H3,(H,32,33)/p-1