(3E,4aR,7aS)-3-[1,1-bis(oxidanylidene)-7-piperidin-1-yl-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-[(4-fluorophenyl)methyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-2,4-dione

Systemtic Name: (3E,4aR,7aS)-3-[1,1-bis(oxidanylidene)-7-piperidin-1-yl-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-[(4-fluorophenyl)methyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-2,4-dione Openeye Name: (3E,4aR,7aS)-3-[1,1-dioxo-7-(1-piperidyl)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-[(4-fluorophenyl)methyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-2,4-dione CAS Name: (3E,4aR,7aS)-3-[1,1-dioxo-7-(1-piperidinyl)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-1-[(4-fluorophenyl)methyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-2,4-dione IUPAC Name: (3E,4aR,7aS)-3-(1,1-dioxo-7-piperidin-1-yl-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1-[(4-fluorophenyl)methyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-2,4-dione Traditional Name: (3E,4aR,7aS)-3-(1,1-diketo-7-piperidino-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1-(4-fluorobenzyl)-5,6,7,7a-tetrahydro-4aH-1-pyrindine-2,4-quinone Formula: C27H29FN4O4S MolecularWeight: 524.606963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=O)C5CCCC5N(C4=O)CC6=CC=C(C=C6)F)NS3(=O)=O

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/C(=O)[C@@H]5CCC[C@@H]5N(C4=O)CC6=CC=C(C=C6)F)/NS3(=O)=O

InChI

InChI=1S/C27H29FN4O4S/c28-18-9-7-17(8-10-18)16-32-22-6-4-5-20(22)25(33)24(27(32)34)26-29-21-12-11-19(31-13-2-1-3-14-31)15-23(21)37(35,36)30-26/h7-12,15,20,22,29-30H,1-6,13-14,16H2/b26-24+/t20-,22+/m1/s1