N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C25H25N3O3S2/c1-18-10-11-19(2)24(14-18)33(30,31)28-23-9-5-8-20(15-23)25(29)27-12-13-32-17-22-7-4-3-6-21(22)16-26/h3-11,14-15,28H,12-13,17H2,1-2H3,(H,27,29)