3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-acetamido-4-[(4-fluorophenyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-acetamido-4-[(4-fluorophenyl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H27FN3O3S+ MolecularWeight: 432.531483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCOCC2)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCOCC2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3S/c1-16(27)25-20-15-17(3-8-21(20)30-19-6-4-18(23)5-7-19)22(28)24-9-2-10-26-11-13-29-14-12-26/h3-8,15H,2,9-14H2,1H3,(H,24,28)(H,25,27)/p+1