4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioic acid

Systemtic Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioic acid Openeye Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioic acid CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbodithioic acid IUPAC Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbodithioic acid Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzenecarbodithioic acid Formula: C17H18N2O3S3 MolecularWeight: 394.53142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S3/c18-25(20,21)15-11-12(17(23)24)10-14(19-8-4-5-9-19)16(15)22-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,23,24)(H2,18,20,21)