cyanomethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate

Systemtic Name: cyanomethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate Openeye Name: cyanomethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbodithioic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbodithioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzenecarbodithioic acid cyanomethyl ester Formula: C19H19N3O3S3 MolecularWeight: 433.56746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S3/c20-8-11-27-19(26)14-12-16(22-9-4-5-10-22)18(17(13-14)28(21,23)24)25-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,9-11H2,(H2,21,23,24)