[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-butan-2-yl]sulfamoyl]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H25NO5S/c1-5-16(4)22-28(25,26)18-10-8-17(9-11-18)21(24)27-13-20(23)19-12-14(2)6-7-15(19)3/h6-12,16,22H,5,13H2,1-4H3/t16-/m0/s1