N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanamide

Systemtic Name: N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanamide Openeye Name: 2-(4-benzyloxy-N-methylsulfonyl-anilino)-N-[3-(p-tolylmethylsulfanyl)propyl]acetamide CAS Name: N-[3-[(4-methylphenyl)methylthio]propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide IUPAC Name: N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide Traditional Name: 2-(4-benzoxy-N-mesyl-anilino)-N-[3-[(4-methylbenzyl)thio]propyl]acetamide Formula: C27H32N2O4S2 MolecularWeight: 512.68398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCCNC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCCNC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C27H32N2O4S2/c1-22-9-11-24(12-10-22)21-34-18-6-17-28-27(30)19-29(35(2,31)32)25-13-15-26(16-14-25)33-20-23-7-4-3-5-8-23/h3-5,7-16H,6,17-21H2,1-2H3,(H,28,30)