2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(2-isopropyl-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(2-isopropyl-N-mesyl-anilino)acetamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O3S2/c1-18(2)20-12-7-8-13-21(20)24(29(3,26)27)16-22(25)23-14-9-15-28-17-19-10-5-4-6-11-19/h4-8,10-13,18H,9,14-17H2,1-3H3,(H,23,25)