methyl 2-[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(6-cyclohexylsulfonyl-3-pyridazinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(6-cyclohexylsulfonylpyridazin-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3CCCCC3

InChI

InChI=1S/C20H23N3O5S2/c1-28-20(25)15-9-5-6-10-16(15)21-17(24)13-29-18-11-12-19(23-22-18)30(26,27)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,21,24)