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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-2-oxidanyl-phenyl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-hydroxy-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-hydroxy-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-hydroxy-4-methylphenyl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-hydroxy-4-methyl-phenyl)propionamide Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-12-4-6-15(16(22)10-12)20-19(23)13(2)21-28(24,25)14-5-7-17-18(11-14)27-9-3-8-26-17/h4-7,10-11,13,21-22H,3,8-9H2,1-2H3,(H,20,23)/t13-/m0/s1