methyl 2-[3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[6-keto-3-(4-methyl-3-piperidinosulfonyl-phenyl)pyridazin-1-yl]acetic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23N3O5S/c1-14-6-7-15(12-17(14)28(25,26)21-10-4-3-5-11-21)16-8-9-18(23)22(20-16)13-19(24)27-2/h6-9,12H,3-5,10-11,13H2,1-2H3