N-[2-[(4-cyanophenyl)methyl]-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]benzenesulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]benzenesulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-4,4-dimethyl-1,3-dioxo-7-isoquinolyl]benzenesulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-4,4-dimethyl-1,3-dioxo-7-isoquinolinyl]benzenesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-4,4-dimethyl-1,3-dioxoisoquinolin-7-yl]benzenesulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-1,3-diketo-4,4-dimethyl-7-isoquinolyl]benzenesulfonamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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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)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)C

InChI

InChI=1S/C25H21N3O4S/c1-25(2)22-13-12-19(27-33(31,32)20-6-4-3-5-7-20)14-21(22)23(29)28(24(25)30)16-18-10-8-17(15-26)9-11-18/h3-14,27H,16H2,1-2H3