1-isoquinolin-5-yl-3-[3-(phenylsulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[3-(phenylsulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea Openeye Name: 1-[3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-(3-besyl-3-azabicyclo[3.1.0]hexan-6-yl)-3-(5-isoquinolyl)urea Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c26-21(23-19-8-4-5-14-11-22-10-9-16(14)19)24-20-17-12-25(13-18(17)20)29(27,28)15-6-2-1-3-7-15/h1-11,17-18,20H,12-13H2,(H2,23,24,26)