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

Systemtic Name: 1-cyclohexyl-3-[4-[2-(3-oxidanylidene-1-phenyl-1H-isoindol-2-yl)ethyl]phenyl]sulfonyl-urea Openeye Name: 1-cyclohexyl-3-[4-[2-(1-oxo-3-phenyl-isoindolin-2-yl)ethyl]phenyl]sulfonyl-urea CAS Name: 1-cyclohexyl-3-[4-[2-(3-oxo-1-phenyl-1H-isoindol-2-yl)ethyl]phenyl]sulfonylurea IUPAC Name: 1-cyclohexyl-3-[4-[2-(3-oxo-1-phenyl-1H-isoindol-2-yl)ethyl]phenyl]sulfonylurea Traditional Name: 1-cyclohexyl-3-[4-[2-(1-keto-3-phenyl-isoindolin-2-yl)ethyl]phenyl]sulfonyl-urea Formula: C29H31N3O4S MolecularWeight: 517.63914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CCN3C(C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CCN3C(C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O4S/c33-28-26-14-8-7-13-25(26)27(22-9-3-1-4-10-22)32(28)20-19-21-15-17-24(18-16-21)37(35,36)31-29(34)30-23-11-5-2-6-12-23/h1,3-4,7-10,13-18,23,27H,2,5-6,11-12,19-20H2,(H2,30,31,34)