(3S)-1-(4-chloranylisoquinolin-5-yl)sulfonyl-N-methyl-pyrrolidin-3-amine hydrobromide

Systemtic Name: (3S)-1-(4-chloranylisoquinolin-5-yl)sulfonyl-N-methyl-pyrrolidin-3-amine hydrobromide Openeye Name: (3S)-1-[(4-chloro-5-isoquinolyl)sulfonyl]-N-methyl-pyrrolidin-3-amine hydrobromide CAS Name: (3S)-1-[(4-chloro-5-isoquinolinyl)sulfonyl]-N-methyl-3-pyrrolidinamine hydrobromide IUPAC Name: (3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine hydrobromide Traditional Name: [(3S)-1-[(4-chloro-5-isoquinolyl)sulfonyl]pyrrolidin-3-yl]-methyl-amine hydrobromide Formula: C14H17BrClN3O2S MolecularWeight: 406.72568

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Cl.Br

Isomeric SMILES

CN[C@H]1CCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Cl.Br

InChI

InChI=1S/C14H16ClN3O2S.BrH/c1-16-11-5-6-18(9-11)21(19,20)13-4-2-3-10-7-17-8-12(15)14(10)13;/h2-4,7-8,11,16H,5-6,9H2,1H3;1H/t11-;/m0./s1