(2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-ethyl-propanamide CAS Name: (2S)-2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-ethylpropanamide Traditional Name: (2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-N-ethyl-propionamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-3-18-17(22)12(2)20-16(21)7-8-19-27(23,24)13-5-6-14-15(11-13)26-10-4-9-25-14/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H,18,22)(H,20,21)/t12-/m0/s1