6-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 6-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[[4-(1-azepanylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-[4-(azepan-1-ylsulfonyl)benzyl]-4-(trifluoromethyl)coumarin Formula: C23H22F3NO4S MolecularWeight: 465.48529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C23H22F3NO4S/c24-23(25,26)20-15-22(28)31-21-10-7-17(14-19(20)21)13-16-5-8-18(9-6-16)32(29,30)27-11-3-1-2-4-12-27/h5-10,14-15H,1-4,11-13H2