[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C25H28N2O6S2/c1-16(24(28)27-17-11-13-19(14-12-17)35(26,30)31)32-25(29)23-21(15-34-18-7-3-2-4-8-18)20-9-5-6-10-22(20)33-23/h5-6,9-14,16,18H,2-4,7-8,15H2,1H3,(H,27,28)(H2,26,30,31)/t16-/m0/s1