1-[3-(4-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[3-(4-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[3-(4-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[3-(4-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[3-(4-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-(3-brosyl-3-azabicyclo[3.1.0]hexan-6-yl)-3-(5-isoquinolyl)urea Formula: C21H19BrN4O3S MolecularWeight: 487.36956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C2NC(=O)NC3=CC=CC4=C3C=CN=C4)CN1S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2C(C2NC(=O)NC3=CC=CC4=C3C=CN=C4)CN1S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C21H19BrN4O3S/c22-14-4-6-15(7-5-14)30(28,29)26-11-17-18(12-26)20(17)25-21(27)24-19-3-1-2-13-10-23-9-8-16(13)19/h1-10,17-18,20H,11-12H2,(H2,24,25,27)