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

Systemtic Name: 2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(2-isopropyl-N-methylsulfonyl-anilino)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(2-isopropyl-N-mesyl-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-17(2)19-12-7-8-13-20(19)23(28(3,25)26)16-21(24)22-14-9-15-27-18-10-5-4-6-11-18/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,22,24)