[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-(2-oxolanylmethylsulfamoyl)benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C21H24N2O6S2/c1-30-18-6-2-4-16(12-18)23-20(24)14-29-21(25)15-7-9-19(10-8-15)31(26,27)22-13-17-5-3-11-28-17/h2,4,6-10,12,17,22H,3,5,11,13-14H2,1H3,(H,23,24)