2,2-dimethylpropanoyloxymethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzoic acid pivaloyloxymethyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O7S/c1-23(2,3)22(27)31-15-30-21(26)16-13-18(25-11-7-8-12-25)20(19(14-16)33(24,28)29)32-17-9-5-4-6-10-17/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H2,24,28,29)