2-[[3-[4-(3-azanylpropylsulfinyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methoxy]benzamide

Systemtic Name: 2-[[3-[4-(3-azanylpropylsulfinyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methoxy]benzamide Openeye Name: 2-[[3-[4-(3-aminopropylsulfinyl)piperazine-1-carbonyl]-4-fluoro-phenyl]methoxy]benzamide CAS Name: 2-[[3-[[4-(3-aminopropylsulfinyl)-1-piperazinyl]-oxomethyl]-4-fluorophenyl]methoxy]benzamide IUPAC Name: 2-[[3-[4-(3-aminopropylsulfinyl)piperazine-1-carbonyl]-4-fluorophenyl]methoxy]benzamide Traditional Name: 2-[3-[4-(3-aminopropylsulfinyl)piperazine-1-carbonyl]-4-fluoro-benzyl]oxybenzamide Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3C(=O)N)F)S(=O)CCCN

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3C(=O)N)F)S(=O)CCCN

InChI

InChI=1S/C22H27FN4O4S/c23-19-7-6-16(15-31-20-5-2-1-4-17(20)21(25)28)14-18(19)22(29)26-9-11-27(12-10-26)32(30)13-3-8-24/h1-2,4-7,14H,3,8-13,15,24H2,(H2,25,28)