2-[4-[3,4-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanamine

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanamine Openeye Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine CAS Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine IUPAC Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine Traditional Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethylamine Formula: C13H19F2N3O2S MolecularWeight: 319.370666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)F)CCN

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)F)CCN

InChI

InChI=1S/C13H19F2N3O2S/c14-12-3-2-11(10-13(12)15)21(19,20)18-6-1-5-17(7-4-16)8-9-18/h2-3,10H,1,4-9,16H2