O-ethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-ethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate Openeye Name: O-ethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbothioic acid O-ethyl ester IUPAC Name: O-ethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbothioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-thiobenzoic acid O-ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCOC(=S)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C19H22N2O4S2/c1-2-24-19(26)14-12-16(21-10-6-7-11-21)18(17(13-14)27(20,22)23)25-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H2,20,22,23)