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

Systemtic Name: ethyl 4-[4-fluoranyl-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-fluoro-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-fluoro-3-[(2-methoxyanilino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-fluoro-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H24FN3O6S MolecularWeight: 465.495163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H24FN3O6S/c1-3-31-21(27)24-10-12-25(13-11-24)32(28,29)15-8-9-17(22)16(14-15)20(26)23-18-6-4-5-7-19(18)30-2/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)