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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-propan-2-yl-propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-isopropyl-propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-propan-2-ylpropanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-isopropyl-propionamide Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H22N2O5S/c1-10(2)16-15(18)11(3)17-23(19,20)12-5-6-13-14(9-12)22-8-4-7-21-13/h5-6,9-11,17H,4,7-8H2,1-3H3,(H,16,18)/t11-/m0/s1