ethyl 4-[4-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H30N4O6S/c1-3-36-26(32)21-6-10-23(11-7-21)37(33,34)29-17-14-28(15-18-29)16-19-30-25(31)13-12-24(27-30)20-4-8-22(35-2)9-5-20/h4-13H,3,14-19H2,1-2H3