oxan-2-yl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate

Systemtic Name: oxan-2-yl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate Openeye Name: tetrahydropyran-2-yl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid 2-oxanyl ester IUPAC Name: oxan-2-yl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid tetrahydropyran-2-yl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OC2CCCCO2)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OC2CCCCO2)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O6S/c1-2-3-12-24-18-14-16(22(25)30-20-11-7-8-13-28-20)15-19(31(23,26)27)21(18)29-17-9-5-4-6-10-17/h4-6,9-10,14-15,20,24H,2-3,7-8,11-13H2,1H3,(H2,23,26,27)