ethyl 4-[2-fluoranyl-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-fluoranyl-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-fluoro-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[2-fluoro-5-[oxo-(4-phenoxyanilino)methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-fluoro-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[2-fluoro-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H26FN3O6S MolecularWeight: 527.564543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)F

InChI

InChI=1S/C26H26FN3O6S/c1-2-35-26(32)29-14-16-30(17-15-29)37(33,34)24-18-19(8-13-23(24)27)25(31)28-20-9-11-22(12-10-20)36-21-6-4-3-5-7-21/h3-13,18H,2,14-17H2,1H3,(H,28,31)