O-(cyanomethyl) 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-(cyanomethyl) 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate Openeye Name: O-(cyanomethyl) 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbothioic acid O-(cyanomethyl) ester IUPAC Name: O-(cyanomethyl) 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbothioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-thiobenzoic acid O-(cyanomethyl) ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2)C(=S)OCC#N)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=S)OCC#N)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S2/c20-8-11-25-19(27)14-12-16(22-9-4-5-10-22)18(17(13-14)28(21,23)24)26-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,9-11H2,(H2,21,23,24)