4-chloranyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-benzenesulfonamide Openeye Name: 4-chloro-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-benzenesulfonamide CAS Name: 4-chloro-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propylbenzenesulfonamide IUPAC Name: 4-chloro-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propylbenzenesulfonamide Traditional Name: 4-chloro-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-benzenesulfonamide Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN2O6S/c1-2-7-20(28(24,25)17-5-3-15(19)4-6-17)10-13-8-16(21(22)23)9-14-11-26-12-27-18(13)14/h3-6,8-9H,2,7,10-12H2,1H3