2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(3-piperidinopropyl)acetamide Formula: C23H30FN3O3S2 MolecularWeight: 479.631003

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H30FN3O3S2/c1-31-21-9-11-22(12-10-21)32(29,30)27(20-8-5-7-19(24)17-20)18-23(28)25-13-6-16-26-14-3-2-4-15-26/h5,7-12,17H,2-4,6,13-16,18H2,1H3,(H,25,28)