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

Systemtic Name: N-cyclooctyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanamide Openeye Name: N-cyclooctyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanamide CAS Name: N-cyclooctyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide IUPAC Name: N-cyclooctyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide Traditional Name: N-cyclooctyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butyramide Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H34N2O5S/c1-16(2)21(22(25)23-17-9-6-4-3-5-7-10-17)24-30(26,27)18-11-12-19-20(15-18)29-14-8-13-28-19/h11-12,15-17,21,24H,3-10,13-14H2,1-2H3,(H,23,25)