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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-morpholinophenyl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-morpholinophenyl)propionamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O6S/c1-16(22(26)23-17-3-5-18(6-4-17)25-9-13-29-14-10-25)24-32(27,28)19-7-8-20-21(15-19)31-12-2-11-30-20/h3-8,15-16,24H,2,9-14H2,1H3,(H,23,26)/t16-/m0/s1