2-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-fluoro-3-morpholinosulfonyl-anilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-fluoro-3-(4-morpholinylsulfonyl)anilino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-fluoro-3-morpholin-4-ylsulfonylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-fluoro-3-morpholinosulfonyl-anilino)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H25FN4O5S2 MolecularWeight: 496.575403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CNC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H25FN4O5S2/c22-17-4-3-16(14-19(17)33(29,30)26-9-11-31-12-10-26)23-15-20(27)24-5-7-25(8-6-24)21(28)18-2-1-13-32-18/h1-4,13-14,23H,5-12,15H2