2-[4-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]-1,4-diazepan-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(4-fluoro-3-piperidinosulfonyl-benzoyl)-1,4-diazepan-1-yl]-N-isopropyl-acetamide Formula: C22H33FN4O4S MolecularWeight: 468.585223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33FN4O4S/c1-17(2)24-21(28)16-25-9-6-10-26(14-13-25)22(29)18-7-8-19(23)20(15-18)32(30,31)27-11-4-3-5-12-27/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,24,28)