2-azanyl-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-butanamide

Systemtic Name: 2-azanyl-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-butanamide Openeye Name: 2-amino-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-butanamide CAS Name: 2-amino-N-[4-(cyanomethyl)phenyl]-4-methylsulfonylbutanamide IUPAC Name: 2-amino-N-[4-(cyanomethyl)phenyl]-4-methylsulfonylbutanamide Traditional Name: 2-amino-N-[4-(cyanomethyl)phenyl]-4-mesyl-butyramide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=C(C=C1)CC#N)N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC=C(C=C1)CC#N)N

InChI

InChI=1S/C13H17N3O3S/c1-20(18,19)9-7-12(15)13(17)16-11-4-2-10(3-5-11)6-8-14/h2-5,12H,6-7,9,15H2,1H3,(H,16,17)