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

Systemtic Name: (2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: (2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide CAS Name: (2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanamide IUPAC Name: (2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanamide Traditional Name: (2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propionamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C25H23N3O5S/c26-13-12-18-6-8-20(9-7-18)27-25(29)22(16-19-4-2-1-3-5-19)28-34(30,31)21-10-11-23-24(17-21)33-15-14-32-23/h1-11,17,22,28H,12,14-16H2,(H,27,29)/t22-/m0/s1