ethyl 3-bromanyl-4-[2-(propylcarbamoyl)pyrrolidin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[2-(propylcarbamoyl)pyrrolidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[2-(propylcarbamoyl)pyrrolidin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[2-[oxo(propylamino)methyl]-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[2-(propylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[2-(propylcarbamoyl)pyrrolidino]sulfonyl-benzoic acid ethyl ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CCCN1S(=O)(=O)C2=C(C=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCNC(=O)C1CCCN1S(=O)(=O)C2=C(C=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C17H23BrN2O5S/c1-3-9-19-16(21)14-6-5-10-20(14)26(23,24)15-8-7-12(11-13(15)18)17(22)25-4-2/h7-8,11,14H,3-6,9-10H2,1-2H3,(H,19,21)