N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-(2-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-[(2-fluorophenyl)thio]acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-[(2-fluorophenyl)thio]acetamide Formula: C21H25FN2O4S2 MolecularWeight: 452.562603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O4S2/c1-2-28-19-11-10-16(30(26,27)24-12-6-3-7-13-24)14-18(19)23-21(25)15-29-20-9-5-4-8-17(20)22/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,25)