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

Systemtic Name: methyl 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[6-keto-3-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazin-1-yl]acetic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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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)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O5S/c1-13-5-6-14(11-16(13)27(24,25)20-9-3-4-10-20)15-7-8-17(22)21(19-15)12-18(23)26-2/h5-8,11H,3-4,9-10,12H2,1-2H3