N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-2-nitro-N-piperonyl-benzenesulfonamide Formula: C26H23N3O7S MolecularWeight: 521.54172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])C

InChI

InChI=1S/C26H23N3O7S/c1-16-7-9-19-12-20(26(30)27-25(19)17(16)2)14-28(13-18-8-10-22-23(11-18)36-15-35-22)37(33,34)24-6-4-3-5-21(24)29(31)32/h3-12H,13-15H2,1-2H3,(H,27,30)