(3S)-1-(4-bromanylisoquinolin-5-yl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidin-3-amine

Systemtic Name: (3S)-1-(4-bromanylisoquinolin-5-yl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidin-3-amine Openeye Name: (3S)-1-[(4-bromo-5-isoquinolyl)sulfonyl]-N-(2-furylmethyl)pyrrolidin-3-amine CAS Name: (3S)-1-[(4-bromo-5-isoquinolinyl)sulfonyl]-N-(2-furanylmethyl)-3-pyrrolidinamine IUPAC Name: (3S)-1-(4-bromoisoquinolin-5-yl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidin-3-amine Traditional Name: [(3S)-1-[(4-bromo-5-isoquinolyl)sulfonyl]pyrrolidin-3-yl]-(2-furfuryl)amine Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NCC2=CC=CO2)S(=O)(=O)C3=CC=CC4=CN=CC(=C43)Br

Isomeric SMILES

C1CN(C[C@H]1NCC2=CC=CO2)S(=O)(=O)C3=CC=CC4=CN=CC(=C43)Br

InChI

InChI=1S/C18H18BrN3O3S/c19-16-11-20-9-13-3-1-5-17(18(13)16)26(23,24)22-7-6-14(12-22)21-10-15-4-2-8-25-15/h1-5,8-9,11,14,21H,6-7,10,12H2/t14-/m0/s1