4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C18H19ClN2O6S2 MolecularWeight: 458.93626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=C3C(=CC(=C2)Cl)COCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=C3C(=CC(=C2)Cl)COCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O6S2/c1-11(2)20-29(24,25)15-3-4-17(16(7-15)21(22)23)28-9-13-6-14(19)5-12-8-26-10-27-18(12)13/h3-7,11,20H,8-10H2,1-2H3