N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanamide Openeye Name: 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[N-methylsulfonyl-4-[4-morpholinyl(oxo)methyl]anilino]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide Traditional Name: 2-[N-mesyl-4-(morpholine-4-carbonyl)anilino]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=C(C=C2)C(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=C(C=C2)C(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O5S2/c1-18-3-9-21(10-4-18)32-16-11-24-22(27)17-26(33(2,29)30)20-7-5-19(6-8-20)23(28)25-12-14-31-15-13-25/h3-10H,11-17H2,1-2H3,(H,24,27)