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

Systemtic Name: 3-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(4-morpholinosulfonylanilino)ethyl]phthalazine-1-carboxylic acid Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O7S/c26-18(13-25-20(27)17-4-2-1-3-16(17)19(23-25)21(28)29)22-14-5-7-15(8-6-14)33(30,31)24-9-11-32-12-10-24/h1-8H,9-13H2,(H,22,26)(H,28,29)