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

Systemtic Name: cyanomethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate Openeye Name: cyanomethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid cyanomethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-2-3-10-22-16-12-14(19(23)26-11-9-20)13-17(28(21,24)25)18(16)27-15-7-5-4-6-8-15/h4-8,12-13,22H,2-3,10-11H2,1H3,(H2,21,24,25)