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

Systemtic Name: 3-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O7S/c27-19(14-26-21(28)18-4-2-1-3-17(18)20(24-26)22(29)30)23-13-15-5-7-16(8-6-15)34(31,32)25-9-11-33-12-10-25/h1-8H,9-14H2,(H,23,27)(H,29,30)