N-[4-(cyanomethyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]acetamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H19N3O5S/c1-28(24,25)22(16-6-7-17-18(12-16)27-11-10-26-17)13-19(23)21-15-4-2-14(3-5-15)8-9-20/h2-7,12H,8,10-11,13H2,1H3,(H,21,23)