[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-(2-furylmethylsulfamoyl)benzoate CAS Name: 4-(2-furanylmethylsulfamoyl)benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(2-furfurylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H22N2O6S/c1-15-5-9-18(10-6-15)24-21(25)16(2)30-22(26)17-7-11-20(12-8-17)31(27,28)23-14-19-4-3-13-29-19/h3-13,16,23H,14H2,1-2H3,(H,24,25)/t16-/m0/s1