3-(dihexylamino)-4-phenoxy-5-sulfamoyl-benzoate

Systemtic Name: 3-(dihexylamino)-4-phenoxy-5-sulfamoyl-benzoate Openeye Name: 3-(dihexylamino)-4-phenoxy-5-sulfamoyl-benzoate CAS Name: 3-(dihexylamino)-4-phenoxy-5-sulfamoylbenzoate IUPAC Name: 3-(dihexylamino)-4-phenoxy-5-sulfamoylbenzoate Traditional Name: 3-(dihexylamino)-4-phenoxy-5-sulfamoyl-benzoate Formula: C25H35N2O5S- MolecularWeight: 475.6208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCN(CCCCCC)C1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C25H36N2O5S/c1-3-5-7-12-16-27(17-13-8-6-4-2)22-18-20(25(28)29)19-23(33(26,30)31)24(22)32-21-14-10-9-11-15-21/h9-11,14-15,18-19H,3-8,12-13,16-17H2,1-2H3,(H,28,29)(H2,26,30,31)/p-1