ethyl 1-[4-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,4-dioxo-3H-phthalazin-2-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(1,4-dioxo-3H-phthalazin-2-yl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,4-dioxo-3H-phthalazin-2-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(1,4-diketo-3H-phthalazin-2-yl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H23N3O6S/c1-2-31-22(28)15-11-13-24(14-12-15)32(29,30)17-9-7-16(8-10-17)25-21(27)19-6-4-3-5-18(19)20(26)23-25/h3-10,15H,2,11-14H2,1H3,(H,23,26)