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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22N2O5S/c1-14(19(22)20-13-15-6-3-2-4-7-15)21-27(23,24)16-8-9-17-18(12-16)26-11-5-10-25-17/h2-4,6-9,12,14,21H,5,10-11,13H2,1H3,(H,20,22)