ethyl 3-[3-[(2-azanyl-5-bromanyl-pyridin-3-yl)sulfonylamino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-[(2-azanyl-5-bromanyl-pyridin-3-yl)sulfonylamino]propanoylamino]benzoate Openeye Name: ethyl 3-[3-[(2-amino-5-bromo-3-pyridyl)sulfonylamino]propanoylamino]benzoate CAS Name: 3-[[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(2-amino-5-bromopyridin-3-yl)sulfonylamino]propanoylamino]benzoate Traditional Name: 3-[3-[(2-amino-5-bromo-3-pyridyl)sulfonylamino]propanoylamino]benzoic acid ethyl ester Formula: C17H19BrN4O5S MolecularWeight: 471.32556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br

InChI

InChI=1S/C17H19BrN4O5S/c1-2-27-17(24)11-4-3-5-13(8-11)22-15(23)6-7-21-28(25,26)14-9-12(18)10-20-16(14)19/h3-5,8-10,21H,2,6-7H2,1H3,(H2,19,20)(H,22,23)