ethyl 4-[4-[(4-chlorophenyl)carbonylamino]-3-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chlorophenyl)carbonylamino]-3-fluoranyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-chlorobenzoyl)amino]-3-fluoro-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(4-chlorophenyl)-oxomethyl]amino]-3-fluorophenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chlorobenzoyl)amino]-3-fluorophenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(4-chlorobenzoyl)amino]-3-fluoro-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C20H21ClFN3O5S MolecularWeight: 469.914243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C20H21ClFN3O5S/c1-2-30-20(27)24-9-11-25(12-10-24)31(28,29)16-7-8-18(17(22)13-16)23-19(26)14-3-5-15(21)6-4-14/h3-8,13H,2,9-12H2,1H3,(H,23,26)