N-tert-butyl-2-[4-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-chloro-2-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-chloro-2-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C17H25ClFN3O3S MolecularWeight: 405.915103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=C(C(=CC=C2)Cl)F

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=C(C(=CC=C2)Cl)F

InChI

InChI=1S/C17H25ClFN3O3S/c1-17(2,3)20-15(23)12-21-8-5-9-22(11-10-21)26(24,25)14-7-4-6-13(18)16(14)19/h4,6-7H,5,8-12H2,1-3H3,(H,20,23)