N-[3-(4-methylphenyl)sulfanylpropyl]-2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanamide Openeye Name: 2-(2-isopropyl-N-methylsulfonyl-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: N-[3-[(4-methylphenyl)thio]propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide Traditional Name: 2-(2-isopropyl-N-mesyl-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=CC=C2C(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=CC=C2C(C)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O3S2/c1-17(2)20-8-5-6-9-21(20)24(29(4,26)27)16-22(25)23-14-7-15-28-19-12-10-18(3)11-13-19/h5-6,8-13,17H,7,14-16H2,1-4H3,(H,23,25)