O-(cyanomethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-(cyanomethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: O-(cyanomethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid O-(cyanomethyl) ester IUPAC Name: O-(cyanomethyl) 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid O-(cyanomethyl) ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c1-2-3-10-22-16-12-14(19(27)25-11-9-20)13-17(28(21,23)24)18(16)26-15-7-5-4-6-8-15/h4-8,12-13,22H,2-3,10-11H2,1H3,(H2,21,23,24)