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

Systemtic Name: ethyl 3-[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(6-cyclohexylsulfonyl-3-pyridazinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-cyclohexylsulfonylpyridazin-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3CCCCC3

InChI

InChI=1S/C21H25N3O5S2/c1-2-29-21(26)15-7-6-8-16(13-15)22-18(25)14-30-19-11-12-20(24-23-19)31(27,28)17-9-4-3-5-10-17/h6-8,11-13,17H,2-5,9-10,14H2,1H3,(H,22,25)