N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-isopentyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-isoamyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O8S/c1-15(2)5-6-23(33(27,28)19-3-4-20-21(11-19)31-8-7-30-20)12-16-9-18(24(25)26)10-17-13-29-14-32-22(16)17/h3-4,9-11,15H,5-8,12-14H2,1-2H3