1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-(2-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-(2-naphthylsulfonyl)-1,4-diazepane Formula: C22H22ClFN2O2S MolecularWeight: 432.938683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H22ClFN2O2S/c23-21-7-3-8-22(24)20(21)16-25-11-4-12-26(14-13-25)29(27,28)19-10-9-17-5-1-2-6-18(17)15-19/h1-3,5-10,15H,4,11-14,16H2