N-(cyanomethyl)-4-methyl-2-[3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(3-morpholinopropylsulfamoyl)phenyl]phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[4-[3-(4-morpholinyl)propylsulfamoyl]phenyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(3-morpholinopropylsulfamoyl)phenyl]phenyl]valeramide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)NCCCN3CCOCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)NCCCN3CCOCC3)C(=O)NCC#N

InChI

InChI=1S/C27H36N4O4S/c1-21(2)19-26(27(32)29-13-11-28)24-6-3-5-23(20-24)22-7-9-25(10-8-22)36(33,34)30-12-4-14-31-15-17-35-18-16-31/h3,5-10,20-21,26,30H,4,12-19H2,1-2H3,(H,29,32)