N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[[3-(2-phenylethynyl)phenyl]amino]ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[[3-(2-phenylethynyl)phenyl]amino]ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[3-(2-phenylethynyl)anilino]acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[3-(2-phenylethynyl)anilino]acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[3-(2-phenylethynyl)anilino]acetamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-21-10-13-25(35(32,33)30-14-16-34-17-15-30)19-26(21)29-27(31)20-28-24-9-5-8-23(18-24)12-11-22-6-3-2-4-7-22/h2-10,13,18-19,28H,14-17,20H2,1H3,(H,29,31)