(3S)-N-(5-bromanylquinolin-8-yl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-bromanylquinolin-8-yl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-bromo-8-quinolyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(5-bromo-8-quinolinyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-bromo-8-quinolyl)-1-mesyl-nipecotamide Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3

InChI

InChI=1S/C16H18BrN3O3S/c1-24(22,23)20-9-3-4-11(10-20)16(21)19-14-7-6-13(17)12-5-2-8-18-15(12)14/h2,5-8,11H,3-4,9-10H2,1H3,(H,19,21)/t11-/m0/s1