(3S)-N-(5-bromanylquinolin-8-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-bromanylquinolin-8-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-bromo-8-quinolyl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(5-bromo-8-quinolinyl)-1-[(1-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-bromoquinolin-8-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-bromo-8-quinolyl)-1-(1-methylpyrazol-4-yl)sulfonyl-nipecotamide Formula: C19H20BrN5O3S MolecularWeight: 478.3628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C19H20BrN5O3S/c1-24-12-14(10-22-24)29(27,28)25-9-3-4-13(11-25)19(26)23-17-7-6-16(20)15-5-2-8-21-18(15)17/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,23,26)/t13-/m0/s1