(2-ethoxyphenyl) 3-[(4-fluorophenyl)carbamoyl]benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-[(4-fluorophenyl)carbamoyl]benzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-[(4-fluorophenyl)carbamoyl]benzenesulfonate CAS Name: 3-[(4-fluoroanilino)-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-[(4-fluorophenyl)carbamoyl]benzenesulfonate Traditional Name: 3-[(4-fluorophenyl)carbamoyl]benzenesulfonic acid o-phenetyl ester Formula: C21H18FNO5S MolecularWeight: 415.434723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO5S/c1-2-27-19-8-3-4-9-20(19)28-29(25,26)18-7-5-6-15(14-18)21(24)23-17-12-10-16(22)11-13-17/h3-14H,2H2,1H3,(H,23,24)