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

Systemtic Name: 2-[(2-fluorophenyl)-thiophen-2-ylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-[2-fluoro-N-(2-thienylsulfonyl)anilino]acetamide CAS Name: 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-[2-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=CC=C2F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CSCCCNC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

InChI

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