1-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-(2-fluoro-4-methylsulfonyl-phenyl)-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-(2-fluoro-4-mesyl-phenyl)-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C16H19FN2O4S3 MolecularWeight: 418.526463

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=CS3)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=CS3)F

InChI

InChI=1S/C16H19FN2O4S3/c1-25(20,21)13-5-6-15(14(17)12-13)18-7-3-8-19(10-9-18)26(22,23)16-4-2-11-24-16/h2,4-6,11-12H,3,7-10H2,1H3