(4-propylsulfonylphenyl)methyl 3-(2-methylpropanoylamino)benzoate

Systemtic Name: (4-propylsulfonylphenyl)methyl 3-(2-methylpropanoylamino)benzoate Openeye Name: (4-propylsulfonylphenyl)methyl 3-(2-methylpropanoylamino)benzoate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]benzoic acid (4-propylsulfonylphenyl)methyl ester IUPAC Name: (4-propylsulfonylphenyl)methyl 3-(2-methylpropanoylamino)benzoate Traditional Name: 3-(isobutyrylamino)benzoic acid (4-propylsulfonylbenzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)NC(=O)C(C)C

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)NC(=O)C(C)C

InChI

InChI=1S/C21H25NO5S/c1-4-12-28(25,26)19-10-8-16(9-11-19)14-27-21(24)17-6-5-7-18(13-17)22-20(23)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,23)