N-(3-chlorophenyl)-4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C19H21ClFN3O3S MolecularWeight: 425.904743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C19H21ClFN3O3S/c1-28(26,27)16-6-7-18(17(21)13-16)23-8-3-9-24(11-10-23)19(25)22-15-5-2-4-14(20)12-15/h2,4-7,12-13H,3,8-11H2,1H3,(H,22,25)