N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propionamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H19N3O5S/c20-9-7-14-1-3-15(4-2-14)22-19(23)8-10-21-28(24,25)16-5-6-17-18(13-16)27-12-11-26-17/h1-6,13,21H,7-8,10-12H2,(H,22,23)