ethyl 4-[[4-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(4-bromo-2-ethyl-phenyl)sulfonylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[(4-bromo-2-ethylphenyl)sulfonylamino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-bromo-2-ethylphenyl)sulfonylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(4-bromo-2-ethyl-phenyl)sulfonylamino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H33BrN4O5S MolecularWeight: 545.49022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NC2(CCNCC2)C(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NC2(CCNCC2)C(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H33BrN4O5S/c1-3-16-15-17(23)5-6-19(16)33(30,31)26-22(9-11-24-12-10-22)20(28)25-18-7-13-27(14-8-18)21(29)32-4-2/h5-6,15,18,24,26H,3-4,7-14H2,1-2H3,(H,25,28)