3-oxidanylidenebutan-2-yl 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid (2-keto-1-methyl-propyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)C

InChI

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