1-(furan-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-(furan-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(2-furylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(2-furanylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(furan-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(2-furfuryl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C17H19F3N2O3S MolecularWeight: 388.40457

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC3=CC=CO3

InChI

InChI=1S/C17H19F3N2O3S/c18-17(19,20)15-6-1-2-7-16(15)26(23,24)22-9-4-8-21(10-11-22)13-14-5-3-12-25-14/h1-3,5-7,12H,4,8-11,13H2