(2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(4-fluorophenyl)sulfanyl-propanamide CAS Name: (2R)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-fluorophenyl)thio]propanamide IUPAC Name: (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-fluorophenyl)sulfanylpropanamide Traditional Name: (2R)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(4-fluorophenyl)thio]propionamide Formula: C20H22ClFN2O3S2 MolecularWeight: 456.981683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22ClFN2O3S2/c1-14(28-16-7-5-15(22)6-8-16)20(25)23-19-13-17(9-10-18(19)21)29(26,27)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,25)/t14-/m1/s1