4-[[4,4-dimethyl-1,3-bis(oxidanylidene)-7-(phenylsulfonylamino)isoquinolin-2-yl]methyl]benzenecarboximidamide

Systemtic Name: 4-[[4,4-dimethyl-1,3-bis(oxidanylidene)-7-(phenylsulfonylamino)isoquinolin-2-yl]methyl]benzenecarboximidamide Openeye Name: 4-[[7-(benzenesulfonamido)-4,4-dimethyl-1,3-dioxo-2-isoquinolyl]methyl]benzamidine CAS Name: 4-[[7-(benzenesulfonamido)-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl]methyl]benzenecarboximidamide IUPAC Name: 4-[[7-(benzenesulfonamido)-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl]methyl]benzenecarboximidamide Traditional Name: 4-[[7-(benzenesulfonamido)-1,3-diketo-4,4-dimethyl-2-isoquinolyl]methyl]benzamidine Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C25H24N4O4S/c1-25(2)21-13-12-18(28-34(32,33)19-6-4-3-5-7-19)14-20(21)23(30)29(24(25)31)15-16-8-10-17(11-9-16)22(26)27/h3-14,28H,15H2,1-2H3,(H3,26,27)