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

Systemtic Name: propan-2-yl 2-[3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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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(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-15(2)29-21(26)14-24-20(25)10-9-18(22-24)17-8-7-16(3)19(13-17)30(27,28)23-11-5-4-6-12-23/h7-10,13,15H,4-6,11-12,14H2,1-3H3