(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methylpyridin-2-yl)propanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methylpyridin-2-yl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-2-pyridyl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-2-pyridinyl)propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methylpyridin-2-yl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-2-pyridyl)propionamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C(C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)[C@H](C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21N3O5S/c1-12-5-3-6-17(19-12)20-18(22)13(2)21-27(23,24)14-7-8-15-16(11-14)26-10-4-9-25-15/h3,5-8,11,13,21H,4,9-10H2,1-2H3,(H,19,20,22)/t13-/m0/s1