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

Systemtic Name: 6-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-[4-(2-methylpiperidino)sulfonylbenzyl]-4-(trifluoromethyl)coumarin Formula: C23H22F3NO4S MolecularWeight: 465.48529

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C23H22F3NO4S/c1-15-4-2-3-11-27(15)32(29,30)18-8-5-16(6-9-18)12-17-7-10-21-19(13-17)20(23(24,25)26)14-22(28)31-21/h5-10,13-15H,2-4,11-12H2,1H3