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

Systemtic Name: (2S)-N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: (2S)-N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: (2S)-N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: (2S)-N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: (2S)-N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H20N4O5S/c1-12(18(24)22-19-20-14-5-2-3-6-15(14)21-19)23-29(25,26)13-7-8-16-17(11-13)28-10-4-9-27-16/h2-3,5-8,11-12,23H,4,9-10H2,1H3,(H2,20,21,22,24)/t12-/m0/s1