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

Systemtic Name: ethyl 3-bromanyl-4-[2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[2-[(cyclopropylamino)-oxomethyl]-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[2-(cyclopropylcarbamoyl)pyrrolidino]sulfonyl-benzoic acid ethyl ester Formula: C17H21BrN2O5S MolecularWeight: 445.32804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CC3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CC3)Br

InChI

InChI=1S/C17H21BrN2O5S/c1-2-25-17(22)11-5-8-15(13(18)10-11)26(23,24)20-9-3-4-14(20)16(21)19-12-6-7-12/h5,8,10,12,14H,2-4,6-7,9H2,1H3,(H,19,21)