propanoyloxymethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate

Systemtic Name: propanoyloxymethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate Openeye Name: propanoyloxymethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid 1-oxopropoxymethyl ester IUPAC Name: propanoyloxymethyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid propionyloxymethyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OCOC(=O)CC)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OCOC(=O)CC)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O7S/c1-3-5-11-23-17-12-15(21(25)29-14-28-19(24)4-2)13-18(31(22,26)27)20(17)30-16-9-7-6-8-10-16/h6-10,12-13,23H,3-5,11,14H2,1-2H3,(H2,22,26,27)