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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC(=CN=C2N)Br

InChI

InChI=1S/C16H23BrN4O5S/c1-2-26-16(23)11-4-3-7-21(10-11)14(22)5-6-20-27(24,25)13-8-12(17)9-19-15(13)18/h8-9,11,20H,2-7,10H2,1H3,(H2,18,19)