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

Systemtic Name: sodium 1-(1-adamantyl)-3-[4-[2-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]phenyl]sulfonyl-urea Openeye Name: sodium 1-(1-adamantyl)-3-[4-[2-(4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea CAS Name: sodium 1-(1-adamantyl)-3-[4-[2-(4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea IUPAC Name: sodium 1-(1-adamantyl)-3-[4-[2-(4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea Traditional Name: sodium 1-(1-adamantyl)-3-[4-[2-(1,3-diketo-4,4-dimethyl-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea Formula: C30H35N3NaO5S+ MolecularWeight: 572.67077

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=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=CC=CC=C2C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5)C.[Na+]

InChI

InChI=1S/C30H35N3O5S.Na/c1-29(2)25-6-4-3-5-24(25)26(34)33(27(29)35)12-11-19-7-9-23(10-8-19)39(37,38)32-28(36)31-30-16-20-13-21(17-30)15-22(14-20)18-30;/h3-10,20-22H,11-18H2,1-2H3,(H2,31,32,36);/q;+1