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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide Openeye Name: 2-(4-isopropyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide Traditional Name: 2-(4-isopropyl-N-mesyl-anilino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-16(2)18-7-9-19(10-8-18)23(28(4,25)26)15-21(24)22-13-14-27-20-11-5-17(3)6-12-20/h5-12,16H,13-15H2,1-4H3,(H,22,24)