N-[4-(cyanomethyl)phenyl]-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C25H25N3O4S2/c1-3-32-24-7-5-4-6-23(24)28(34(30,31)22-14-12-21(33-2)13-15-22)18-25(29)27-20-10-8-19(9-11-20)16-17-26/h4-15H,3,16,18H2,1-2H3,(H,27,29)