N-[1-[4-fluoranyl-2-(phenylmethyl)-3-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide

Systemtic Name: N-[1-[4-fluoranyl-2-(phenylmethyl)-3-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide Openeye Name: N-[1-(2-benzyl-4-fluoro-3-isopropylsulfonyl-phenyl)-3-oxo-propyl]formamide CAS Name: N-[1-[4-fluoro-2-(phenylmethyl)-3-propan-2-ylsulfonylphenyl]-3-oxopropyl]formamide IUPAC Name: N-[1-(2-benzyl-4-fluoro-3-propan-2-ylsulfonylphenyl)-3-oxopropyl]formamide Traditional Name: N-[1-(2-benzyl-4-fluoro-3-isopropylsulfonyl-phenyl)-3-keto-propyl]formamide Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1CC2=CC=CC=C2)C(CC=O)NC=O)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1CC2=CC=CC=C2)C(CC=O)NC=O)F

InChI

InChI=1S/C20H22FNO4S/c1-14(2)27(25,26)20-17(12-15-6-4-3-5-7-15)16(8-9-18(20)21)19(10-11-23)22-13-24/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,22,24)