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

Systemtic Name: N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[3-(m-tolylmethylsulfanyl)propyl]-2-[N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-[(3-methylphenyl)methylthio]propyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-[(3-methylbenzyl)thio]propyl]-2-(N-tosylanilino)acetamide Formula: C26H30N2O3S2 MolecularWeight: 482.658

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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)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3S2/c1-21-12-14-25(15-13-21)33(30,31)28(24-10-4-3-5-11-24)19-26(29)27-16-7-17-32-20-23-9-6-8-22(2)18-23/h3-6,8-15,18H,7,16-17,19-20H2,1-2H3,(H,27,29)