ethyl 1-[3-[(2-azanyl-5-bromanyl-pyridin-3-yl)sulfonylamino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2-azanyl-5-bromanyl-pyridin-3-yl)sulfonylamino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(2-amino-5-bromo-3-pyridyl)sulfonylamino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-amino-5-bromopyridin-3-yl)sulfonylamino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2-amino-5-bromo-3-pyridyl)sulfonylamino]propanoyl]isonipecotic acid ethyl ester Formula: C16H23BrN4O5S MolecularWeight: 463.34662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br

InChI

InChI=1S/C16H23BrN4O5S/c1-2-26-16(23)11-4-7-21(8-5-11)14(22)3-6-20-27(24,25)13-9-12(17)10-19-15(13)18/h9-11,20H,2-8H2,1H3,(H2,18,19)