[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O5S/c1-30(27,28)24-12-10-23(11-13-24)19(25)14-29-20(26)17-4-2-3-5-18(17)22-16-8-6-15(21)7-9-16/h2-9,22H,10-14H2,1H3