N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-morpholinosulfonylphenoxy)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(4-morpholinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-morpholinosulfonylphenoxy)acetamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C23H27N3O5S/c1-18-14-19(2)16-20(15-18)26(9-3-8-24)23(27)17-31-21-4-6-22(7-5-21)32(28,29)25-10-12-30-13-11-25/h4-7,14-16H,3,9-13,17H2,1-2H3