3-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(4-morpholinosulfonylphenyl)ethyl]phthalazine-1-carboxylic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H19N3O7S/c25-18(13-24-20(26)17-4-2-1-3-16(17)19(22-24)21(27)28)14-5-7-15(8-6-14)32(29,30)23-9-11-31-12-10-23/h1-8H,9-13H2,(H,27,28)