methyl 4-[2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]thiazol-4-yl]benzoic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O5S2/c1-14(2)31(27,28)18-10-4-15(5-11-18)12-20(25)24-22-23-19(13-30-22)16-6-8-17(9-7-16)21(26)29-3/h4-11,13-14H,12H2,1-3H3,(H,23,24,25)