2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetamide CAS Name: 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetamide Formula: C22H23FN2O3S3 MolecularWeight: 478.623023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CSCCCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H23FN2O3S3/c23-19-9-11-20(12-10-19)25(31(27,28)22-8-4-15-30-22)16-21(26)24-13-5-14-29-17-18-6-2-1-3-7-18/h1-4,6-12,15H,5,13-14,16-17H2,(H,24,26)