(2-azanyl-2-oxidanylidene-ethyl) 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-bromo-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-pyrrolidinosulfonyl-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H15BrN2O5S MolecularWeight: 391.2376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC(=O)N

InChI

InChI=1S/C13H15BrN2O5S/c14-11-4-3-9(22(19,20)16-5-1-2-6-16)7-10(11)13(18)21-8-12(15)17/h3-4,7H,1-2,5-6,8H2,(H2,15,17)