N-(3-cyanophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]methanesulfonamide

Systemtic Name: N-(3-cyanophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]methanesulfonamide Openeye Name: N-(3-cyanophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]methanesulfonamide CAS Name: N-(3-cyanophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]methanesulfonamide IUPAC Name: N-(3-cyanophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]methanesulfonamide Traditional Name: N-(3-cyanophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]methanesulfonamide Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15N3O6S/c1-27(23,24)19(15-4-2-3-12(5-15)8-18)9-13-6-16(20(21)22)7-14-10-25-11-26-17(13)14/h2-7H,9-11H2,1H3