3-(2-fluorophenyl)sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(2-fluorophenyl)sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(2-fluorophenyl)sulfanyl-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-[(2-fluorophenyl)thio]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(2-fluorophenyl)sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(2-fluorophenyl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)propionamide Formula: C21H25FN2O4S2 MolecularWeight: 452.562603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25FN2O4S2/c1-28-18-10-9-16(15-20(18)30(26,27)24-12-5-2-6-13-24)23-21(25)11-14-29-19-8-4-3-7-17(19)22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,25)