(2S)-N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide

Systemtic Name: (2S)-N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide CAS Name: (2S)-N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide IUPAC Name: (2S)-N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide Traditional Name: (2S)-N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyramide Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CCCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H32N2O5S/c1-15(2)20(21(24)22-16-8-6-4-3-5-7-9-16)23-29(25,26)17-10-11-18-19(14-17)28-13-12-27-18/h10-11,14-16,20,23H,3-9,12-13H2,1-2H3,(H,22,24)/t20-/m0/s1