N-(3-chloranyl-2-methyl-phenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide CAS Name: N-(3-chloro-2-methylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25ClN2O5S/c1-15-17(22)6-5-7-18(15)24-21(25)8-3-2-4-11-23-30(26,27)16-9-10-19-20(14-16)29-13-12-28-19/h5-7,9-10,14,23H,2-4,8,11-13H2,1H3,(H,24,25)