(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C22H25BrN2O6S MolecularWeight: 525.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCC3

InChI

InChI=1S/C22H25BrN2O6S/c1-3-30-19-11-8-17(23)14-20(19)32(28,29)24-18-9-6-16(7-10-18)22(27)31-15(2)21(26)25-12-4-5-13-25/h6-11,14-15,24H,3-5,12-13H2,1-2H3