N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-[N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-[(3-chlorophenyl)methylthio]propyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-[(3-chlorobenzyl)thio]propyl]-2-(N-tosylanilino)acetamide Formula: C25H27ClN2O3S2 MolecularWeight: 503.07648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C25H27ClN2O3S2/c1-20-11-13-24(14-12-20)33(30,31)28(23-9-3-2-4-10-23)18-25(29)27-15-6-16-32-19-21-7-5-8-22(26)17-21/h2-5,7-14,17H,6,15-16,18-19H2,1H3,(H,27,29)