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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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