methyl 4-[2-[2-[(4-methylsulfonylphenyl)amino]-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[(4-methylsulfonylphenyl)amino]-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4-methylsulfonylanilino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-(4-methylsulfonylanilino)-4-thiazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-mesylanilino)thiazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H19N3O5S2/c1-28-19(25)13-3-5-14(6-4-13)21-18(24)11-16-12-29-20(23-16)22-15-7-9-17(10-8-15)30(2,26)27/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)