methyl 2-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-5-bromanyl-benzoate

Systemtic Name: methyl 2-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-5-bromanyl-benzoate Openeye Name: methyl 5-bromo-2-(2-carbamoylpyrrolidin-1-yl)sulfonyl-benzoate CAS Name: 5-bromo-2-[(2-carbamoyl-1-pyrrolidinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-(2-carbamoylpyrrolidin-1-yl)sulfonylbenzoate Traditional Name: 5-bromo-2-(2-carbamoylpyrrolidino)sulfonyl-benzoic acid methyl ester Formula: C13H15BrN2O5S MolecularWeight: 391.2376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCC2C(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCC2C(=O)N

InChI

InChI=1S/C13H15BrN2O5S/c1-21-13(18)9-7-8(14)4-5-11(9)22(19,20)16-6-2-3-10(16)12(15)17/h4-5,7,10H,2-3,6H2,1H3,(H2,15,17)