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

Systemtic Name: N-(benzimidazol-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanamide Openeye Name: N-(benzimidazol-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanamide CAS Name: N-(1-benzimidazolyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide IUPAC Name: N-(benzimidazol-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide Traditional Name: N-(benzimidazol-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butyramide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1C=NC2=CC=CC=C21)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C(C(=O)NN1C=NC2=CC=CC=C21)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N4O5S/c1-14(2)20(21(26)23-25-13-22-16-6-3-4-7-17(16)25)24-31(27,28)15-8-9-18-19(12-15)30-11-5-10-29-18/h3-4,6-9,12-14,20,24H,5,10-11H2,1-2H3,(H,23,26)