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

Systemtic Name: 1-isoquinolin-5-yl-3-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]urea Openeye Name: 1-(5-isoquinolyl)-3-[3-(p-tolylsulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea CAS Name: 1-(5-isoquinolinyl)-3-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]urea Traditional Name: 1-(5-isoquinolyl)-3-(3-tosyl-3-azabicyclo[3.1.0]hexan-6-yl)urea Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2)C3NC(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2)C3NC(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C22H22N4O3S/c1-14-5-7-16(8-6-14)30(28,29)26-12-18-19(13-26)21(18)25-22(27)24-20-4-2-3-15-11-23-10-9-17(15)20/h2-11,18-19,21H,12-13H2,1H3,(H2,24,25,27)