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

Systemtic Name: sodium 1-(1-adamantyl)-3-[4-[2-[7-bromanyl-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]phenyl]sulfonyl-urea Openeye Name: sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea CAS Name: sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea IUPAC Name: sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea Traditional Name: sodium 1-(1-adamantyl)-3-[4-[2-(7-bromo-1,3-diketo-4,4-dimethyl-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea Formula: C30H34BrN3NaO5S+ MolecularWeight: 651.56683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)Br)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)Br)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/C30H34BrN3O5S.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);/q;+1