N-[4-(cyanomethyl)phenyl]-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(N-mesyl-2,5-dimethyl-anilino)propionamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S/c1-14-5-6-15(2)19(13-14)23(27(4,25)26)16(3)20(24)22-18-9-7-17(8-10-18)11-12-21/h5-10,13,16H,11H2,1-4H3,(H,22,24)