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

Systemtic Name: ethyl 4-[4-[2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-[6-oxo-3-(p-tolyl)pyridazin-1-yl]ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]ethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-[6-keto-3-(p-tolyl)pyridazin-1-yl]ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O5S/c1-3-35-26(32)22-8-10-23(11-9-22)36(33,34)29-17-14-28(15-18-29)16-19-30-25(31)13-12-24(27-30)21-6-4-20(2)5-7-21/h4-13H,3,14-19H2,1-2H3