(2-azanyl-2-oxidanylidene-ethyl) 2-bromanyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-bromanyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-bromo-5-morpholinosulfonyl-benzoate CAS Name: 2-bromo-5-(4-morpholinylsulfonyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-bromo-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-bromo-5-morpholinosulfonyl-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H15BrN2O6S MolecularWeight: 407.237

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC(=O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC(=O)N

InChI

InChI=1S/C13H15BrN2O6S/c14-11-2-1-9(7-10(11)13(18)22-8-12(15)17)23(19,20)16-3-5-21-6-4-16/h1-2,7H,3-6,8H2,(H2,15,17)