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

Systemtic Name: (2S)-N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: (2S)-N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: (2S)-N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: (2S)-N-(1-adamantylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C[C@@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H32N2O5S/c1-15(22(26)24-14-23-11-16-7-17(12-23)9-18(8-16)13-23)25-31(27,28)19-3-4-20-21(10-19)30-6-2-5-29-20/h3-4,10,15-18,25H,2,5-9,11-14H2,1H3,(H,24,26)/t15-,16?,17?,18?,23?/m0/s1