ethyl 4-[3-[(2-ethoxyphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2-ethoxyphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-ethoxyphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[(2-ethoxyanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-ethoxyphenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-(o-phenetylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H26FN3O6S MolecularWeight: 479.521743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)F

InChI

InChI=1S/C22H26FN3O6S/c1-3-31-20-8-6-5-7-19(20)24-21(27)17-15-16(9-10-18(17)23)33(29,30)26-13-11-25(12-14-26)22(28)32-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)