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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2S)-N-(4-benzyloxyphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2S)-N-(4-benzoxyphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H26N2O6S/c1-18(27-34(29,30)22-12-13-23-24(16-22)32-15-5-14-31-23)25(28)26-20-8-10-21(11-9-20)33-17-19-6-3-2-4-7-19/h2-4,6-13,16,18,27H,5,14-15,17H2,1H3,(H,26,28)/t18-/m0/s1