methyl 4-[2-[1-methyl-5-oxidanylidene-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-methyl-5-oxidanylidene-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-keto-1-methyl-3-(4-sulfamoylbenzyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O6S2/c1-24-19(27)17(11-18(26)23-15-7-5-14(6-8-15)20(28)31-2)25(21(24)32)12-13-3-9-16(10-4-13)33(22,29)30/h3-10,17H,11-12H2,1-2H3,(H,23,26)(H2,22,29,30)