[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C16H18ClFN2O5S MolecularWeight: 404.840923

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C/C=C/C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H18ClFN2O5S/c1-2-3-16(22)25-11-15(21)19-6-8-20(9-7-19)26(23,24)12-4-5-14(18)13(17)10-12/h2-5,10H,6-9,11H2,1H3/b3-2+