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

Systemtic Name: 3-[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H19ClN4O7S MolecularWeight: 506.91616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O7S/c22-16-6-5-13(11-17(16)34(31,32)25-7-9-33-10-8-25)23-18(27)12-26-20(28)15-4-2-1-3-14(15)19(24-26)21(29)30/h1-6,11H,7-10,12H2,(H,23,27)(H,29,30)