2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(4-ethyl-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(4-ethyl-N-mesyl-anilino)acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-3-18-10-12-20(13-11-18)23(28(2,25)26)16-21(24)22-14-7-15-27-17-19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-17H2,1-2H3,(H,22,24)