(2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: (2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: (2S)-N-(2-amino-2-oxo-ethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanamide CAS Name: (2S)-N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanamide IUPAC Name: (2S)-N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanamide Traditional Name: (2S)-N-(2-amino-2-keto-ethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propionamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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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)NCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c20-18(23)12-21-19(24)15(10-13-4-2-1-3-5-13)22-29(25,26)14-6-7-16-17(11-14)28-9-8-27-16/h1-7,11,15,22H,8-10,12H2,(H2,20,23)(H,21,24)/t15-/m0/s1