1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one Formula: C22H22F3NO3S MolecularWeight: 437.47519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3NO3S/c23-22(24,25)19-10-5-17(6-11-19)7-14-21(27)18-8-12-20(13-9-18)30(28,29)26-15-3-1-2-4-16-26/h5-14H,1-4,15-16H2