(3S)-1-(4-bromanylisoquinolin-5-yl)sulfonyl-N-prop-2-enyl-pyrrolidin-3-amine

Systemtic Name: (3S)-1-(4-bromanylisoquinolin-5-yl)sulfonyl-N-prop-2-enyl-pyrrolidin-3-amine Openeye Name: (3S)-N-allyl-1-[(4-bromo-5-isoquinolyl)sulfonyl]pyrrolidin-3-amine CAS Name: (3S)-1-[(4-bromo-5-isoquinolinyl)sulfonyl]-N-prop-2-enyl-3-pyrrolidinamine IUPAC Name: (3S)-1-(4-bromoisoquinolin-5-yl)sulfonyl-N-prop-2-enylpyrrolidin-3-amine Traditional Name: allyl-[(3S)-1-[(4-bromo-5-isoquinolyl)sulfonyl]pyrrolidin-3-yl]amine Formula: C16H18BrN3O2S MolecularWeight: 396.30202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1CCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S/c1-2-7-19-13-6-8-20(11-13)23(21,22)15-5-3-4-12-9-18-10-14(17)16(12)15/h2-5,9-10,13,19H,1,6-8,11H2/t13-/m0/s1