(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H20N2O7S/c1-12(19(22)20-13-3-5-16-17(9-13)28-11-27-16)21-29(23,24)14-4-6-15-18(10-14)26-8-2-7-25-15/h3-6,9-10,12,21H,2,7-8,11H2,1H3,(H,20,22)/t12-/m0/s1