N-(3-cyclohexylsulfanylpropyl)-2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanamide Openeye Name: 2-(4-benzyloxy-N-methylsulfonyl-anilino)-N-(3-cyclohexylsulfanylpropyl)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide Traditional Name: 2-(4-benzoxy-N-mesyl-anilino)-N-[3-(cyclohexylthio)propyl]acetamide Formula: C25H34N2O4S2 MolecularWeight: 490.67846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O4S2/c1-33(29,30)27(19-25(28)26-17-8-18-32-24-11-6-3-7-12-24)22-13-15-23(16-14-22)31-20-21-9-4-2-5-10-21/h2,4-5,9-10,13-16,24H,3,6-8,11-12,17-20H2,1H3,(H,26,28)