1-(1-adamantyl)-3-[4-[2-[7-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]phenyl]sulfonyl-urea; sodium

Systemtic Name: 1-(1-adamantyl)-3-[4-[2-[7-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]phenyl]sulfonyl-urea; sodium Openeye Name: 1-(1-adamantyl)-3-[4-[2-(7-chloro-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea; sodium CAS Name: 1-(1-adamantyl)-3-[4-[2-(7-chloro-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea; sodium IUPAC Name: 1-(1-adamantyl)-3-[4-[2-(7-chloro-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea; sodium Traditional Name: 1-(1-adamantyl)-3-[4-[2-(7-chloro-1,3-diketo-4,4-dimethyl-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea; sodium Formula: C30H34ClN3NaO5S MolecularWeight: 607.11583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)Cl)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5)C.[Na]

Isomeric SMILES

CC1(C2=C(C=C(C=C2)Cl)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5)C.[Na]

InChI

InChI=1S/C30H34ClN3O5S.Na/c1-29(2)25-8-5-22(31)14-24(25)26(35)34(27(29)36)10-9-18-3-6-23(7-4-18)40(38,39)33-28(37)32-30-15-19-11-20(16-30)13-21(12-19)17-30;/h3-8,14,19-21H,9-13,15-17H2,1-2H3,(H2,32,33,37);