N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S2/c1-16-2-4-17(5-3-16)32-13-8-22-21(25)15-31-20-7-6-18(14-19(20)24(26)27)33(28,29)23-9-11-30-12-10-23/h2-7,14H,8-13,15H2,1H3,(H,22,25)