[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6S/c1-15-9-10-18(12-16(15)2)22(25)17(3)30-23(26)19-6-4-8-21(13-19)31(27,28)24-14-20-7-5-11-29-20/h4-13,17,24H,14H2,1-3H3/t17-/m0/s1