6-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 6-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[[4-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-[4-(4-ethylpiperazino)sulfonylbenzyl]-4-(trifluoromethyl)coumarin Formula: C23H23F3N2O4S MolecularWeight: 480.49993

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C23H23F3N2O4S/c1-2-27-9-11-28(12-10-27)33(30,31)18-6-3-16(4-7-18)13-17-5-8-21-19(14-17)20(23(24,25)26)15-22(29)32-21/h3-8,14-15H,2,9-13H2,1H3