[2-(dimethylamino)-2-oxidanylidene-ethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-23(2)19(25)14-29-21(26)15-12-17(24-10-6-7-11-24)20(18(13-15)31(22,27)28)30-16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H2,22,27,28)