ethyl 4-[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(5-fluoro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-fluoro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24FN3O6S MolecularWeight: 417.452363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C17H24FN3O6S/c1-4-27-17(23)21-9-7-20(8-10-21)16(22)12-19(2)28(24,25)15-11-13(18)5-6-14(15)26-3/h5-6,11H,4,7-10,12H2,1-3H3