1-cyclohexyl-3-[3-[1-[(3-sulfamoylphenyl)amino]isoquinolin-5-yl]phenyl]urea

Systemtic Name: 1-cyclohexyl-3-[3-[1-[(3-sulfamoylphenyl)amino]isoquinolin-5-yl]phenyl]urea Openeye Name: 1-cyclohexyl-3-[3-[1-(3-sulfamoylanilino)-5-isoquinolyl]phenyl]urea CAS Name: 1-cyclohexyl-3-[3-[1-(3-sulfamoylanilino)-5-isoquinolinyl]phenyl]urea IUPAC Name: 1-cyclohexyl-3-[3-[1-(3-sulfamoylanilino)isoquinolin-5-yl]phenyl]urea Traditional Name: 1-cyclohexyl-3-[3-[1-(3-sulfamoylanilino)-5-isoquinolyl]phenyl]urea Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC=CC(=C2)C3=CC=CC4=C3C=CN=C4NC5=CC(=CC=C5)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC=CC(=C2)C3=CC=CC4=C3C=CN=C4NC5=CC(=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C28H29N5O3S/c29-37(35,36)23-12-5-11-22(18-23)31-27-26-14-6-13-24(25(26)15-16-30-27)19-7-4-10-21(17-19)33-28(34)32-20-8-2-1-3-9-20/h4-7,10-18,20H,1-3,8-9H2,(H,30,31)(H2,29,35,36)(H2,32,33,34)