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

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methyl-3-nitro-phenyl)hexanamide Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methyl-3-nitro-phenyl)hexanamide CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methyl-3-nitrophenyl)hexanamide IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methyl-3-nitrophenyl)hexanamide Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methyl-3-nitro-phenyl)hexanamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-15-6-7-16(13-18(15)24(26)27)23-21(25)5-3-2-4-10-22-32(28,29)17-8-9-19-20(14-17)31-12-11-30-19/h6-9,13-14,22H,2-5,10-12H2,1H3,(H,23,25)