N-[4-(cyanomethyl)phenyl]-3-methyl-4-(methylsulfonylamino)benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-methyl-4-(methylsulfonylamino)benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methyl-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methyl-benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-12-11-14(5-8-16(12)20-24(2,22)23)17(21)19-15-6-3-13(4-7-15)9-10-18/h3-8,11,20H,9H2,1-2H3,(H,19,21)