N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanamide Openeye Name: 2-(N-methylsulfonyl-4-phenoxy-anilino)-N-[2-(p-tolylmethylsulfanyl)ethyl]propanamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide Traditional Name: 2-(N-mesyl-4-phenoxy-anilino)-N-[2-[(4-methylbenzyl)thio]ethyl]propionamide Formula: C26H30N2O4S2 MolecularWeight: 498.6574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C26H30N2O4S2/c1-20-9-11-22(12-10-20)19-33-18-17-27-26(29)21(2)28(34(3,30)31)23-13-15-25(16-14-23)32-24-7-5-4-6-8-24/h4-16,21H,17-19H2,1-3H3,(H,27,29)