1-isoquinolin-5-yl-3-[(4-methylsulfonylphenyl)methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[(4-methylsulfonylphenyl)methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[(4-methylsulfonylphenyl)methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[(4-methylsulfonylphenyl)methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[(4-methylsulfonylphenyl)methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-(4-mesylbenzyl)urea Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H17N3O3S/c1-25(23,24)15-7-5-13(6-8-15)11-20-18(22)21-17-4-2-3-14-12-19-10-9-16(14)17/h2-10,12H,11H2,1H3,(H2,20,21,22)