3-acetamido-N-[2-(azepan-1-ium-1-yl)ethyl]-4-(4-fluorophenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-[2-(azepan-1-ium-1-yl)ethyl]-4-(4-fluorophenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[2-(azepan-1-ium-1-yl)ethyl]-4-(4-fluorophenyl)sulfanyl-benzamide CAS Name: 3-acetamido-N-[2-(1-azepan-1-iumyl)ethyl]-4-[(4-fluorophenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[2-(azepan-1-ium-1-yl)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[2-(azepan-1-ium-1-yl)ethyl]-4-[(4-fluorophenyl)thio]benzamide Formula: C23H29FN3O2S+ MolecularWeight: 430.558663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCC[NH+]2CCCCCC2)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCC[NH+]2CCCCCC2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O2S/c1-17(28)26-21-16-18(6-11-22(21)30-20-9-7-19(24)8-10-20)23(29)25-12-15-27-13-4-2-3-5-14-27/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)/p+1