3-[3-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]propyl]phthalazin-1-olate Formula: C20H21N4O6S- MolecularWeight: 445.46894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-30-14-6-8-15(9-7-14)31(28,29)22-12-11-21-18(25)10-13-24-20(27)17-5-3-2-4-16(17)19(26)23-24/h2-9,22H,10-13H2,1H3,(H,21,25)(H,23,26)/p-1