N-(cyanomethyl)-4-methyl-2-[3-(4-methylphenyl)sulfonylphenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(4-methylphenyl)sulfonylphenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(p-tolylsulfonyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(4-methylphenyl)sulfonylphenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(4-methylphenyl)sulfonylphenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-(3-tosylphenyl)valeramide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)C(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)C(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C21H24N2O3S/c1-15(2)13-20(21(24)23-12-11-22)17-5-4-6-19(14-17)27(25,26)18-9-7-16(3)8-10-18/h4-10,14-15,20H,12-13H2,1-3H3,(H,23,24)