N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-nitro-benzenesulfonamide Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O6S/c23-22(24)16-5-1-2-6-19(16)29(25,26)21-14-20(9-3-4-10-20)15-7-8-17-18(13-15)28-12-11-27-17/h1-2,5-8,13,21H,3-4,9-12,14H2