N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide

Systemtic Name: N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide Openeye Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5-(isopropylsulfonylamino)pentanamide CAS Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide IUPAC Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide Traditional Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5-(isopropylsulfonylamino)valeramide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCCCCC(=O)NC1=CC(=C(C=C1)C(C#N)C2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)S(=O)(=O)NCCCCC(=O)NC1=CC(=C(C=C1)C(C#N)C2=CC=CC=C2)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-16(2)30(28,29)25-13-7-6-10-22(27)26-18-11-12-19(21(23)14-18)20(15-24)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,16,20,25H,6-7,10,13H2,1-2H3,(H,26,27)