1-[4-[2-(6-bromanyl-3-oxidanylidene-1-phenyl-1H-isoindol-2-yl)ethyl]phenyl]sulfonyl-3-cyclohexyl-urea

Systemtic Name: 1-[4-[2-(6-bromanyl-3-oxidanylidene-1-phenyl-1H-isoindol-2-yl)ethyl]phenyl]sulfonyl-3-cyclohexyl-urea Openeye Name: 1-[4-[2-(5-bromo-1-oxo-3-phenyl-isoindolin-2-yl)ethyl]phenyl]sulfonyl-3-cyclohexyl-urea CAS Name: 1-[4-[2-(6-bromo-3-oxo-1-phenyl-1H-isoindol-2-yl)ethyl]phenyl]sulfonyl-3-cyclohexylurea IUPAC Name: 1-[4-[2-(6-bromo-3-oxo-1-phenyl-1H-isoindol-2-yl)ethyl]phenyl]sulfonyl-3-cyclohexylurea Traditional Name: 1-[4-[2-(5-bromo-1-keto-3-phenyl-isoindolin-2-yl)ethyl]phenyl]sulfonyl-3-cyclohexyl-urea Formula: C29H30BrN3O4S MolecularWeight: 596.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CCN3C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CCN3C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H30BrN3O4S/c30-22-13-16-25-26(19-22)27(21-7-3-1-4-8-21)33(28(25)34)18-17-20-11-14-24(15-12-20)38(36,37)32-29(35)31-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,19,23,27H,2,5-6,9-10,17-18H2,(H2,31,32,35)