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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)propionamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)[C@H](C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O6S/c1-12(20(24)22-14-4-6-17-16(10-14)21-13(2)29-17)23-30(25,26)15-5-7-18-19(11-15)28-9-3-8-27-18/h4-7,10-12,23H,3,8-9H2,1-2H3,(H,22,24)/t12-/m0/s1