3-(1-adamantyl)-N-(4-cyanophenyl)-5-methyl-2-oxidanyl-benzenesulfonamide

Systemtic Name: 3-(1-adamantyl)-N-(4-cyanophenyl)-5-methyl-2-oxidanyl-benzenesulfonamide Openeye Name: 3-(1-adamantyl)-N-(4-cyanophenyl)-2-hydroxy-5-methyl-benzenesulfonamide CAS Name: 3-(1-adamantyl)-N-(4-cyanophenyl)-2-hydroxy-5-methylbenzenesulfonamide IUPAC Name: 3-(1-adamantyl)-N-(4-cyanophenyl)-2-hydroxy-5-methylbenzenesulfonamide Traditional Name: 3-(1-adamantyl)-N-(4-cyanophenyl)-2-hydroxy-5-methyl-benzenesulfonamide Formula: C24H26N2O3S MolecularWeight: 422.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)S(=O)(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)S(=O)(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H26N2O3S/c1-15-6-21(24-11-17-8-18(12-24)10-19(9-17)13-24)23(27)22(7-15)30(28,29)26-20-4-2-16(14-25)3-5-20/h2-7,17-19,26-27H,8-13H2,1H3