1-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-methyl-pyridin-2-yl]-2-(4-cyanophenyl)sulfonyl-guanidine

Systemtic Name: 1-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-methyl-pyridin-2-yl]-2-(4-cyanophenyl)sulfonyl-guanidine Openeye Name: 2-(4-cyanophenyl)sulfonyl-1-[5-(1,3-dioxoisoindolin-2-yl)-6-methyl-2-pyridyl]guanidine CAS Name: 2-(4-cyanophenyl)sulfonyl-1-[5-(1,3-dioxo-2-isoindolyl)-6-methyl-2-pyridinyl]guanidine IUPAC Name: 2-(4-cyanophenyl)sulfonyl-1-[5-(1,3-dioxoisoindol-2-yl)-6-methylpyridin-2-yl]guanidine Traditional Name: 2-(4-cyanophenyl)sulfonyl-1-(6-methyl-5-phthalimido-2-pyridyl)guanidine Formula: C22H16N6O4S MolecularWeight: 460.46524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)NC(=NS(=O)(=O)C2=CC=C(C=C2)C#N)N)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=CC(=N1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)C#N)/N)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16N6O4S/c1-13-18(28-20(29)16-4-2-3-5-17(16)21(28)30)10-11-19(25-13)26-22(24)27-33(31,32)15-8-6-14(12-23)7-9-15/h2-11H,1H3,(H3,24,25,26,27)