(4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-phenyl)carbothioyloxymethyl propanoate

Systemtic Name: (4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-phenyl)carbothioyloxymethyl propanoate Openeye Name: (4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioyl)oxymethyl propanoate CAS Name: propanoic acid [[4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylphenyl]-sulfanylidenemethoxy]methyl ester IUPAC Name: (4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbothioyl)oxymethyl propanoate Traditional Name: propionic acid (4-phenoxy-3-pyrrolidino-5-sulfamoyl-thiobenzoyl)oxymethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-2-19(24)27-14-28-21(30)15-12-17(23-10-6-7-11-23)20(18(13-15)31(22,25)26)29-16-8-4-3-5-9-16/h3-5,8-9,12-13H,2,6-7,10-11,14H2,1H3,(H2,22,25,26)